 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_LCPBE_augccpVDZ.in
 Output=18_methylcyclopentanone_Boat_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/18_methylcyclopentanone_Boat_STD/Gau-25559.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25561.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=18_methylcyclopentanone_Boat_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033500
 0000,3/108=0335000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=335000000,108=335000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.335000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.335000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:              23.4 elap:               3.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.29D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               9.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:12 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636999353 LenY=  5636928687
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -308.927192299905    
 DIIS: error= 3.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -308.927192299905     IErMin= 1 ErrMin= 3.68D-03
 ErrMax= 3.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-03 BMatP= 7.99D-03
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 GapD=    0.397 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.02D-02 MaxDP=1.03D+00              OVMax= 1.77D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.74D-03    CP:  1.12D+00
 E= -308.934501674810     Delta-E=       -0.007309374905 Rises=F Damp=F
 DIIS: error= 1.45D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -308.934501674810     IErMin= 2 ErrMin= 1.45D-03
 ErrMax= 1.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-03 BMatP= 7.99D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.45D-02
 Coeff-Com:  0.137D+00 0.863D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.135D+00 0.865D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.56D-03 MaxDP=1.44D-01 DE=-7.31D-03 OVMax= 1.10D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.03D-04    CP:  1.13D+00  1.13D+00
 E= -308.934550740355     Delta-E=       -0.000049065545 Rises=F Damp=F
 DIIS: error= 1.62D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -308.934550740355     IErMin= 2 ErrMin= 1.45D-03
 ErrMax= 1.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.10D-03
 IDIUse=3 WtCom= 1.99D-01 WtEn= 8.01D-01
 Coeff-Com: -0.403D-01 0.527D+00 0.513D+00
 Coeff-En:   0.000D+00 0.487D+00 0.513D+00
 Coeff:     -0.803D-02 0.495D+00 0.513D+00
 Gap=     0.370 Goal=   None    Shift=    0.000
 RMSDP=4.84D-04 MaxDP=3.95D-02 DE=-4.91D-05 OVMax= 6.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.47D-04    CP:  1.14D+00  1.16D+00  1.08D+00
 E= -308.935442779716     Delta-E=       -0.000892039361 Rises=F Damp=F
 DIIS: error= 2.20D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -308.935442779716     IErMin= 4 ErrMin= 2.20D-04
 ErrMax= 2.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-05 BMatP= 1.10D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.20D-03
 Coeff-Com: -0.826D-02-0.118D-01 0.102D+00 0.918D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.824D-02-0.118D-01 0.102D+00 0.918D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.39D-04 MaxDP=1.46D-02 DE=-8.92D-04 OVMax= 1.19D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.77D-05    CP:  1.14D+00  1.18D+00  1.24D+00  1.23D+00
 E= -308.935461892544     Delta-E=       -0.000019112829 Rises=F Damp=F
 DIIS: error= 5.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -308.935461892544     IErMin= 5 ErrMin= 5.82D-05
 ErrMax= 5.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-06 BMatP= 2.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.684D-01-0.204D-01 0.348D+00 0.739D+00
 Coeff:      0.113D-02-0.684D-01-0.204D-01 0.348D+00 0.739D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.03D-05 MaxDP=3.80D-03 DE=-1.91D-05 OVMax= 4.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  1.14D+00  1.18D+00  1.29D+00  1.32D+00  1.17D+00
 E= -308.935463848645     Delta-E=       -0.000001956101 Rises=F Damp=F
 DIIS: error= 6.59D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -308.935463848645     IErMin= 6 ErrMin= 6.59D-06
 ErrMax= 6.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 1.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.691D-03-0.837D-02-0.746D-02 0.362D-02 0.950D-01 0.917D+00
 Coeff:      0.691D-03-0.837D-02-0.746D-02 0.362D-02 0.950D-01 0.917D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=7.75D-04 DE=-1.96D-06 OVMax= 9.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.99D-06    CP:  1.14D+00  1.18D+00  1.30D+00  1.34D+00  1.26D+00
                    CP:  1.19D+00
 E= -308.935463897732     Delta-E=       -0.000000049087 Rises=F Damp=F
 DIIS: error= 1.79D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -308.935463897732     IErMin= 7 ErrMin= 1.79D-06
 ErrMax= 1.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-09 BMatP= 2.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.539D-04 0.241D-02-0.141D-03-0.205D-01-0.275D-01 0.201D+00
 Coeff-Com:  0.844D+00
 Coeff:      0.539D-04 0.241D-02-0.141D-03-0.205D-01-0.275D-01 0.201D+00
 Coeff:      0.844D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.32D-06 MaxDP=2.58D-04 DE=-4.91D-08 OVMax= 3.16D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.41D-07    CP:  1.14D+00  1.18D+00  1.30D+00  1.34D+00  1.29D+00
                    CP:  1.26D+00  1.12D+00
 E= -308.935463902562     Delta-E=       -0.000000004831 Rises=F Damp=F
 DIIS: error= 5.93D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -308.935463902562     IErMin= 8 ErrMin= 5.93D-07
 ErrMax= 5.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-10 BMatP= 3.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.527D-04 0.162D-02 0.744D-03-0.737D-02-0.195D-01-0.328D-01
 Coeff-Com:  0.266D+00 0.792D+00
 Coeff:     -0.527D-04 0.162D-02 0.744D-03-0.737D-02-0.195D-01-0.328D-01
 Coeff:      0.266D+00 0.792D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.07D-07 MaxDP=4.16D-05 DE=-4.83D-09 OVMax= 1.17D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.53D-07    CP:  1.14D+00  1.18D+00  1.30D+00  1.34D+00  1.29D+00
                    CP:  1.27D+00  1.21D+00  1.01D+00
 E= -308.935463903197     Delta-E=       -0.000000000634 Rises=F Damp=F
 DIIS: error= 1.27D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -308.935463903197     IErMin= 9 ErrMin= 1.27D-07
 ErrMax= 1.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-11 BMatP= 4.40D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.575D-05-0.714D-04 0.759D-04 0.966D-03 0.117D-02-0.145D-01
 Coeff-Com: -0.440D-01 0.295D-01 0.103D+01
 Coeff:     -0.575D-05-0.714D-04 0.759D-04 0.966D-03 0.117D-02-0.145D-01
 Coeff:     -0.440D-01 0.295D-01 0.103D+01
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.48D-07 MaxDP=9.62D-06 DE=-6.34D-10 OVMax= 3.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.43D-08    CP:  1.14D+00  1.18D+00  1.30D+00  1.34D+00  1.29D+00
                    CP:  1.27D+00  1.22D+00  1.09D+00  1.15D+00
 E= -308.935463903215     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 3.18D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -308.935463903215     IErMin=10 ErrMin= 3.18D-08
 ErrMax= 3.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-13 BMatP= 1.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-05-0.102D-03-0.353D-04 0.528D-03 0.126D-02 0.143D-03
 Coeff-Com: -0.203D-01-0.386D-01 0.113D+00 0.944D+00
 Coeff:      0.246D-05-0.102D-03-0.353D-04 0.528D-03 0.126D-02 0.143D-03
 Coeff:     -0.203D-01-0.386D-01 0.113D+00 0.944D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.25D-08 MaxDP=4.75D-06 DE=-1.85D-11 OVMax= 1.22D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.94D-08    CP:  1.14D+00  1.18D+00  1.30D+00  1.34D+00  1.29D+00
                    CP:  1.27D+00  1.22D+00  1.10D+00  1.18D+00  1.11D+00
 E= -308.935463903228     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.45D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -308.935463903228     IErMin=11 ErrMin= 1.45D-08
 ErrMax= 1.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-13 BMatP= 8.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.908D-06-0.164D-04-0.141D-04 0.452D-04 0.176D-03 0.110D-02
 Coeff-Com: -0.945D-03-0.961D-02-0.572D-01 0.208D+00 0.858D+00
 Coeff:      0.908D-06-0.164D-04-0.141D-04 0.452D-04 0.176D-03 0.110D-02
 Coeff:     -0.945D-03-0.961D-02-0.572D-01 0.208D+00 0.858D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=9.40D-09 MaxDP=2.78D-07 DE=-1.30D-11 OVMax= 5.41D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -308.935463903     A.U. after   11 cycles
            NFock= 11  Conv=0.94D-08     -V/T= 2.0053
 KE= 3.073185283241D+02 PE=-1.339360421650D+03 EE= 4.133030818748D+02
 Leave Link  502 at Fri Jul 16 19:16:28 2021, MaxMem=  5637144576 cpu:            1086.8 elap:             136.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.53168862D+02

 Leave Link  801 at Fri Jul 16 19:16:29 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 2.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 1.48D-01 7.73D-02.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 2.03D-02 2.01D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.40D-03 6.17D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 5.30D-05 1.04D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 1.27D-06 1.64D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 3.62D-08 4.05D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 7.63D-10 4.97D-06.
     11 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 1.49D-11 4.44D-07.
      9 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 2.52D-13 5.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.815984D+02
      2 -0.102112D+01  0.745009D+02
      3 -0.161447D+01 -0.157668D+01  0.658578D+02
 Isotropic polarizability for W=    0.093368       73.99 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.206367D+02 -0.175143D+02 -0.252336D+02
      2   0.111131D+02  0.159574D+02  0.984379D+01
      3   0.952360D+01  0.155689D+01  0.153898D+02
      4  -0.901764D+01 -0.296857D+02 -0.847884D+01
      5  -0.220241D+02 -0.635232D+01 -0.400388D+02
      6  -0.677719D-01  0.202954D+01  0.556948D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.282952D+01  0.704201D-01 -0.204340D+01
      2  -0.911604D+01 -0.314397D+01 -0.186366D+02
      3   0.575724D+01  0.144359D+02  0.278721D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.212652D+01 -0.781425D+01 -0.401259D+01
      2  -0.320953D+01 -0.841107D+01 -0.495624D+02
      3   0.849665D+01  0.407988D+02  0.628455D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.353250D+00  0.883434D+00 -0.367954D+00
      2   0.883434D+00  0.705595D+00 -0.452884D-01
      3  -0.367954D+00 -0.452884D-01  0.141391D+01
 OR G Eigenvalues:    -0.4081     1.1746     1.7063  Iso=    -0.8243
 Eigenvectors:
   (1)   0.778310  -0.611618   0.141976
   (2)   0.368534   0.628069   0.685356
   (3)  -0.508347  -0.481096   0.714234
 w=    0.093368 a.u., Optical Rotation Beta=     -0.8243 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -473.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 6.53D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.32D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 2.14D-02 2.56D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 1.34D-03 7.67D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 2.37D-05 9.96D-04.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 2.80D-07 5.82D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 3.07D-09 6.52D-06.
     30 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 2.55D-11 7.18D-07.
     30 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 1.93D-13 5.00D-08.
      1 vectors produced by pass  8 Test12= 1.68D-14 2.78D-09 XBig12= 1.36D-15 4.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.27D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.27D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.815984D+02 -0.102112D+01 -0.161447D+01
      2  -0.102112D+01  0.745009D+02 -0.157668D+01
      3  -0.161447D+01 -0.157668D+01  0.658578D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.282952D+01  0.704201D-01 -0.204340D+01
      2  -0.911604D+01 -0.314397D+01 -0.186366D+02
      3   0.575724D+01  0.144359D+02  0.278721D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.206367D+02 -0.175143D+02 -0.252336D+02
      2   0.111131D+02  0.159574D+02  0.984379D+01
      3   0.952360D+01  0.155689D+01  0.153898D+02
      4  -0.901764D+01 -0.296857D+02 -0.847884D+01
      5  -0.220241D+02 -0.635232D+01 -0.400388D+02
      6  -0.677719D-01  0.202954D+01  0.556948D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.144403D+00 -0.203091D+01 -0.114674D+01 -0.181324D+01 -0.343123D+01
      2  -0.203091D+01 -0.492910D+01  0.431130D+00 -0.343123D+01 -0.514161D+00
      3  -0.114674D+01  0.431130D+00  0.384186D+00  0.301726D-01 -0.820680D+00
                 6             7             8             9            10 
      1   0.301726D-01 -0.104226D+01 -0.110958D+01  0.754115D+00 -0.578140D+01
      2  -0.820680D+00 -0.110958D+01 -0.283279D-01 -0.102182D+01  0.358108D+01
      3  -0.403263D+00  0.754115D+00 -0.102182D+01  0.496441D+01  0.114808D+01
                11            12            13            14            15 
      1   0.358108D+01  0.114808D+01  0.284670D+01  0.490407D+00 -0.664291D+00
      2   0.320654D+01 -0.188611D+01  0.490407D+00 -0.232981D+01  0.395711D+00
      3  -0.188611D+01  0.636625D+00 -0.664291D+00  0.395711D+00  0.361920D+00
                16            17            18            19            20 
      1   0.137852D+01 -0.778432D+00 -0.497064D+00  0.769081D+00 -0.252461D+01
      2  -0.778432D+00 -0.784609D+00  0.708886D+00 -0.252461D+01 -0.117834D+01
      3  -0.497064D+00  0.708886D+00 -0.140959D-01  0.110015D+01  0.946615D+00
                21            22            23            24            25 
      1   0.110015D+01 -0.158090D+01  0.221337D-01  0.187240D+00 -0.922243D+00
      2   0.946615D+00  0.221337D-01  0.651948D+01  0.111171D+01  0.304427D+00
      3  -0.249101D+01  0.187240D+00  0.111171D+01 -0.170255D+00 -0.156403D+01
                26            27            28            29            30 
      1   0.304427D+00 -0.156403D+01 -0.113938D+01  0.209454D+01 -0.206312D+01
      2   0.209124D+01  0.344941D+00  0.209454D+01 -0.269706D+01  0.883702D+00
      3   0.344941D+00 -0.530926D+01 -0.206312D+01  0.883702D+00  0.388752D+01
                31            32            33            34            35 
      1   0.175705D+01 -0.198569D+01  0.709621D+00 -0.184087D+01  0.571563D+00
      2  -0.198569D+01 -0.450583D+01 -0.762936D+00  0.571563D+00  0.460488D+00
      3   0.709621D+00 -0.762936D+00  0.167153D+01  0.448262D+01  0.180458D+01
                36            37            38            39            40 
      1   0.448262D+01  0.449532D+00 -0.158149D+01  0.229673D+01 -0.788546D+00
      2   0.180458D+01 -0.158149D+01  0.309734D+01 -0.969689D+00  0.331143D+01
      3  -0.571045D+00  0.229673D+01 -0.969689D+00 -0.117368D+01 -0.128823D+01
                41            42            43            44            45 
      1   0.331143D+01 -0.128823D+01  0.246735D+01 -0.188436D+01 -0.917840D+00
      2   0.189562D+01  0.163953D+00 -0.188436D+01 -0.837396D-01 -0.324884D+01
      3   0.163953D+00 -0.223551D+01 -0.917840D+00 -0.324884D+01 -0.466591D+01
                46            47            48            49            50 
      1   0.149213D+02 -0.345662D+01 -0.206429D+01 -0.301599D+01  0.371507D+01
      2  -0.345662D+01  0.159043D+01  0.776709D+00  0.371507D+01 -0.237328D+01
      3  -0.206429D+01  0.776709D+00  0.152480D+01  0.719693D+00 -0.104020D+01
                51            52            53            54            55 
      1   0.719693D+00 -0.204887D+01  0.667864D+00  0.382186D+01 -0.626501D+00
      2  -0.104020D+01  0.667864D+00 -0.461873D+00 -0.146080D+01  0.499904D+00
      3  -0.769815D+00  0.382186D+01 -0.146080D+01 -0.194781D+01 -0.929117D+00
                56            57            58            59            60 
      1   0.499904D+00 -0.929117D+00  0.121083D+00  0.240056D+00  0.106544D+00
      2   0.514226D+00 -0.651125D-01  0.240056D+00  0.882062D+00 -0.972562D+00
      3  -0.651125D-01 -0.353273D+00  0.106544D+00 -0.972562D+00  0.558592D+00
                61            62            63            64            65 
      1  -0.168845D+01  0.234575D+00 -0.721292D-01  0.415879D+01  0.313275D+01
      2   0.234575D+00 -0.226165D+01  0.212669D+01  0.313275D+01  0.434009D+01
      3  -0.721292D-01  0.212669D+01 -0.785340D+01  0.274119D+00 -0.104199D-01
                66            67            68            69            70 
      1   0.274119D+00  0.268754D+01  0.286868D+01  0.851003D-01  0.106821D+01
      2  -0.104199D-01  0.286868D+01  0.587552D+01  0.478708D+00  0.843120D+00
      3   0.702784D+00  0.851003D-01  0.478708D+00  0.986859D+00  0.494372D+00
                71            72            73            74            75 
      1   0.843120D+00  0.494372D+00  0.848649D+00  0.433857D-01  0.132177D+01
      2   0.124493D+01  0.123286D+01  0.433857D-01  0.643795D+00 -0.735534D+00
      3   0.123286D+01 -0.157010D-02  0.132177D+01 -0.735534D+00  0.202211D+01
                76            77            78            79            80 
      1   0.447264D+00  0.901053D-01 -0.115204D+00  0.228804D+01 -0.292624D+00
      2   0.901053D-01 -0.999802D+00  0.110640D+01 -0.292624D+00  0.155995D+01
      3  -0.115204D+00  0.110640D+01 -0.290214D+00  0.136070D+01 -0.174613D+01
                81            82            83            84            85 
      1   0.136070D+01 -0.124792D+00 -0.966105D+00 -0.424676D+00 -0.169010D+01
      2  -0.174613D+01 -0.966105D+00  0.411166D+00 -0.218404D+00 -0.487174D-01
      3   0.908377D+01 -0.424676D+00 -0.218404D+00  0.251716D+00 -0.865389D-01
                86            87            88            89            90 
      1  -0.487174D-01 -0.865389D-01 -0.583957D+00  0.126635D+00  0.411234D-01
      2  -0.909195D+01 -0.292036D+00  0.126635D+00 -0.241330D+01 -0.121802D+01
      3  -0.292036D+00 -0.133354D+01  0.411234D-01 -0.121802D+01  0.185701D+00
                91            92            93            94            95 
      1  -0.477112D+01 -0.948290D+00  0.274483D+01 -0.719598D+00 -0.769455D+00
      2  -0.948290D+00 -0.776664D+00  0.181688D+00 -0.769455D+00 -0.105142D+00
      3   0.274483D+01  0.181688D+00 -0.338392D+01  0.150470D+00  0.102098D+01
                96            97            98            99           100 
      1   0.150470D+00  0.321668D+01  0.382933D+00 -0.340303D+01  0.332356D+01
      2   0.102098D+01  0.382933D+00  0.106188D+01 -0.786109D+00 -0.247915D+01
      3  -0.775761D+00 -0.340303D+01 -0.786109D+00  0.523233D+01  0.177323D+01
               101           102           103           104           105 
      1  -0.247915D+01  0.177323D+01 -0.305082D+01  0.383302D+01 -0.113211D+01
      2   0.283790D+01 -0.988476D+00  0.383302D+01  0.562603D+01  0.550602D+00
      3  -0.988476D+00 -0.328941D+01 -0.113211D+01  0.550602D+00 -0.135437D+01
               106           107           108           109           110 
      1   0.143848D+01 -0.107283D+01 -0.374600D+01  0.477377D+00  0.750973D+00
      2  -0.107283D+01 -0.537546D+00 -0.140409D+01  0.750973D+00  0.705450D-01
      3  -0.374600D+01 -0.140409D+01  0.131418D+01  0.748757D+00  0.366393D+00
               111           112           113           114           115 
      1   0.748757D+00  0.703914D+00 -0.290643D+00  0.509455D-01  0.124894D+01
      2   0.366393D+00 -0.290643D+00  0.221096D+01  0.206337D+01  0.369078D+00
      3   0.716143D+00  0.509455D-01  0.206337D+01  0.226544D+01  0.322654D-01
               116           117           118           119           120 
      1   0.369078D+00  0.322654D-01 -0.450260D+01  0.286736D+01 -0.113526D+01
      2   0.306111D+01  0.346043D+01  0.286736D+01 -0.358257D+01  0.619913D+00
      3   0.346043D+01  0.727048D+01 -0.113526D+01  0.619913D+00 -0.961224D+00
               121           122           123           124           125 
      1   0.240330D+01 -0.271549D+01  0.545033D+00 -0.187248D+01  0.116903D+01
      2  -0.271549D+01  0.419141D+01 -0.773376D+00  0.116903D+01 -0.185509D+01
      3   0.545033D+00 -0.773376D+00  0.123290D+01 -0.992194D+00  0.153798D+01
               126           127           128           129           130 
      1  -0.992194D+00  0.195943D+01  0.537298D+00 -0.123900D+01  0.598567D+00
      2   0.153798D+01  0.537298D+00  0.596079D+00  0.313136D+00  0.103611D-02
      3  -0.645316D+00 -0.123900D+01  0.313136D+00  0.294204D+01  0.119228D+00
               131           132           133           134           135 
      1   0.103611D-02  0.119228D+00 -0.198547D+01 -0.809696D-01  0.128815D+01
      2  -0.451669D+00 -0.762170D+00 -0.809696D-01 -0.110873D+01 -0.110210D+00
      3  -0.762170D+00  0.422914D+00  0.128815D+01 -0.110210D+00 -0.584517D+01
               136           137           138           139           140 
      1  -0.772199D+01  0.196354D+01 -0.200663D+01  0.367405D+01 -0.210938D+01
      2   0.196354D+01 -0.208023D+01  0.438385D+00 -0.210938D+01  0.138804D+01
      3  -0.200663D+01  0.438385D+00 -0.135240D+01  0.113778D+01 -0.525716D+00
               141           142           143           144           145 
      1   0.113778D+01 -0.123131D+01  0.478457D+00 -0.100716D+01 -0.209553D+01
      2  -0.525716D+00  0.478457D+00 -0.159968D+00  0.584026D+00 -0.148364D+01
      3   0.129393D+01 -0.100716D+01  0.584026D+00 -0.992188D+00 -0.398830D+00
               146           147           148           149           150 
      1  -0.148364D+01 -0.398830D+00 -0.258029D+01 -0.322132D+01 -0.555445D+00
      2  -0.206416D+01 -0.839235D-01 -0.322132D+01 -0.821748D+01 -0.941770D+00
      3  -0.839235D-01 -0.630025D-01 -0.555445D+00 -0.941770D+00 -0.146135D+01
               151           152           153 
      1   0.109704D+00  0.711153D-01 -0.757692D-01
      2   0.711153D-01  0.215233D+00 -0.804369D+00
      3  -0.757692D-01 -0.804369D+00 -0.205110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.490150D+01  0.429972D+01 -0.133439D+01  0.183868D+01  0.264813D+01
      2  -0.108944D+01 -0.144102D+01  0.124745D+01 -0.176750D+01 -0.289560D+01
      3   0.424434D+01  0.284381D+00 -0.433601D+01  0.631594D+01 -0.373174D+01
                 6             7             8             9            10 
      1  -0.465255D+01 -0.459049D+01  0.493905D+01 -0.690061D+01 -0.269417D+01
      2  -0.111402D+01 -0.298789D+01 -0.264747D+01  0.758971D+01 -0.377135D+01
      3  -0.340456D+00 -0.333377D+01 -0.336890D+01  0.401097D+01  0.187261D+01
                11            12            13            14            15 
      1   0.835347D+01 -0.330709D+01  0.552808D+01  0.536481D+01  0.973342D+00
      2  -0.692813D+01 -0.486800D+01 -0.388046D+01 -0.219203D+00  0.182139D+01
      3  -0.271956D+01  0.359498D+01  0.154221D+01 -0.183630D+01 -0.193254D+01
                16            17            18            19            20 
      1   0.239041D+01  0.176334D+02 -0.709094D+01 -0.655237D+00 -0.536690D+00
      2  -0.119656D+02 -0.203834D+01  0.665307D+01 -0.368669D+01  0.419231D+01
      3   0.232842D+01 -0.538021D+01  0.301064D+00 -0.396784D+00  0.294628D+01
                21            22            23            24            25 
      1  -0.520385D+01  0.116767D+01  0.856516D+01 -0.279727D+01 -0.529900D+00
      2   0.147400D+01  0.342859D+01 -0.750476D+00  0.271242D+01 -0.479194D+01
      3  -0.196886D+01  0.778517D+01 -0.597055D+01  0.114012D+01 -0.130700D+01
                26            27            28            29            30 
      1   0.510617D+01 -0.741917D+01  0.129840D+01 -0.194290D+01  0.775835D+00
      2   0.121285D+01 -0.221882D+01  0.790519D+01 -0.170705D+01 -0.130944D+01
      3   0.100256D+01  0.141827D+01  0.455888D+01 -0.848336D+01  0.154929D+01
                31            32            33            34            35 
      1  -0.278588D+01 -0.298865D+01 -0.299847D+01 -0.251860D+00  0.459220D+01
      2  -0.324774D+01  0.110362D+01 -0.210263D+01 -0.846521D+01 -0.381561D+01
      3  -0.241731D+01 -0.628282D+01  0.496333D-01  0.910048D+00  0.667929D-02
                36            37            38            39            40 
      1   0.439766D+00 -0.387212D+01  0.533799D+01  0.189457D+01  0.540940D+01
      2   0.149744D+00 -0.625131D+01  0.326995D+01  0.175601D+01  0.243736D+01
      3   0.112954D+01 -0.480254D+01 -0.142669D+01  0.304576D+01  0.465138D+01
                41            42            43            44            45 
      1   0.254393D+01  0.191424D+01  0.145280D+01  0.911036D+01  0.463030D+01
      2  -0.231380D+01  0.251349D+01 -0.412927D+01  0.457245D+01  0.404150D+01
      3   0.794674D+01 -0.160356D+01  0.334203D+01 -0.342413D+01 -0.364343D+01
                46            47            48            49            50 
      1   0.104661D+01 -0.515189D+01  0.397258D+01 -0.148064D+01  0.593197D-01
      2  -0.983789D+00  0.121822D+01  0.121024D+02  0.131691D+01 -0.113226D+01
      3  -0.183349D+01 -0.125454D+02  0.313270D+00 -0.122737D+01  0.625808D+01
                51            52            53            54            55 
      1  -0.281673D+01 -0.596104D+00 -0.337606D+01  0.151108D+01  0.151278D+00
      2  -0.362260D+01  0.411528D+01  0.234809D+00 -0.590743D+01 -0.185484D+01
      3   0.799019D+00  0.146949D+01  0.418617D+01  0.281693D+00 -0.177623D+01
                56            57            58            59            60 
      1   0.104359D+01  0.707743D+00  0.148153D+01 -0.114774D+00 -0.554500D+00
      2   0.160656D+00  0.436150D-01 -0.189238D+00 -0.463179D+00 -0.458296D-01
      3  -0.114211D+01 -0.590303D+00  0.493764D+00  0.853437D+00  0.237228D+00
                61            62            63            64            65 
      1   0.823359D+00 -0.220366D+01  0.139971D+02 -0.164312D+01 -0.549789D+01
      2  -0.350166D+01  0.280439D+01 -0.918296D+01  0.208962D+01  0.231010D+01
      3  -0.280928D+01  0.293196D+01 -0.219504D+01  0.398414D+01 -0.522552D+00
                66            67            68            69            70 
      1  -0.167914D+01 -0.244162D+01 -0.406330D+01 -0.290594D+01 -0.131359D+01
      2   0.239485D+01  0.188314D+01  0.308883D+01  0.158009D+01  0.162508D+00
      3   0.629661D+00  0.451890D+01 -0.238088D+00 -0.422361D+00  0.165129D+01
                71            72            73            74            75 
      1  -0.185144D+01 -0.709016D+00 -0.190984D+00 -0.115795D+01  0.448298D+01
      2   0.169935D+01  0.253289D+00  0.771214D+00 -0.412892D-02 -0.540362D+00
      3  -0.209239D+00 -0.203547D+00 -0.302141D+00 -0.172746D+01 -0.146893D+01
                76            77            78            79            80 
      1  -0.133038D+01  0.179229D+00  0.326007D+00  0.116792D+01 -0.389269D-01
      2  -0.673708D+00  0.100314D+00 -0.396962D-01 -0.407189D+01  0.455881D+00
      3   0.465785D+00  0.151235D+00 -0.500860D-01 -0.264841D+01  0.220646D+00
                81            82            83            84            85 
      1   0.116142D+02  0.101345D+00  0.239717D+00 -0.462948D+00 -0.137952D+01
      2   0.820597D+00 -0.939906D+00 -0.694844D-01  0.162746D+01  0.137837D+01
      3  -0.223465D+01  0.472015D+00 -0.125267D+01  0.897696D+00  0.550279D+01
                86            87            88            89            90 
      1  -0.110418D+02 -0.390122D+01 -0.536578D+00 -0.311349D+01 -0.155612D+01
      2   0.161130D+00 -0.621524D+00 -0.236565D+00  0.436876D-01 -0.301907D+00
      3   0.269501D+01  0.417135D-02  0.203786D+01  0.112432D+01  0.216942D+00
                91            92            93            94            95 
      1  -0.485756D+00 -0.168198D+01 -0.707887D+00 -0.329584D+00  0.884219D-01
      2   0.524006D+00  0.371905D+00  0.437099D+01  0.517478D+00 -0.877979D+00
      3   0.200380D+00 -0.270268D+01 -0.639629D+00  0.605255D+00 -0.605832D-01
                96            97            98            99           100 
      1  -0.322060D+00  0.188695D+00  0.283492D+01  0.787114D-01  0.469077D+01
      2   0.135944D+01 -0.989851D-01  0.860938D+00 -0.543937D+01  0.146319D+00
      3   0.138535D+01 -0.929884D+00  0.288228D+01 -0.223328D+00 -0.888086D+01
               101           102           103           104           105 
      1  -0.447416D+01 -0.238030D+01 -0.660183D+01 -0.664310D+01 -0.448453D+01
      2   0.708211D-01  0.134726D+02  0.139761D+00  0.284299D+01  0.197899D+01
      3   0.682038D+01 -0.395671D+01  0.133853D+02  0.995952D+01  0.191324D+01
               106           107           108           109           110 
      1  -0.159072D+01  0.285675D+00  0.346856D+01  0.182889D+00 -0.634358D+00
      2   0.772203D+01  0.203843D+01 -0.718093D+01 -0.901342D+00 -0.983020D+00
      3  -0.374153D+01  0.341105D+00 -0.374399D+00  0.183675D+01  0.171736D+00
               111           112           113           114           115 
      1  -0.858121D+00 -0.327619D+00 -0.117369D+01 -0.356425D+01  0.342254D-01
      2   0.353808D-01 -0.135447D+01 -0.139133D+01 -0.192348D+01 -0.320296D+01
      3   0.121750D+01  0.209547D+01  0.685802D+00  0.198741D+01  0.303698D+01
               116           117           118           119           120 
      1  -0.310582D+00 -0.981665D+01  0.268827D+01 -0.198363D+01  0.273930D+01
      2  -0.283731D+01 -0.590921D+01  0.308266D+01 -0.221904D+01  0.322326D+01
      3   0.299848D+01  0.238154D+01 -0.559920D+01 -0.131029D+01 -0.118680D+01
               121           122           123           124           125 
      1  -0.223192D+01  0.275949D+01 -0.382704D+01  0.165937D+01 -0.160928D+01
      2  -0.143473D+01  0.213095D+01 -0.232993D+01  0.823432D+00 -0.226418D+01
      3   0.361140D+01 -0.833438D-01  0.715878D-01 -0.310637D+01 -0.101349D+01
               126           127           128           129           130 
      1   0.224360D+01 -0.231171D+01 -0.188520D+01  0.250890D+01 -0.470217D+00
      2   0.179563D+01  0.698828D+01  0.746833D+00 -0.664863D+01  0.119175D+01
      3   0.930536D-01 -0.916880D+00 -0.313363D+00  0.133579D+01  0.553263D+00
               131           132           133           134           135 
      1  -0.564945D+00  0.232435D+00  0.199108D+01  0.336068D+01 -0.469935D+01
      2   0.175513D+01 -0.762320D+00 -0.848011D+01 -0.356156D+00  0.134107D+02
      3  -0.589371D+00 -0.132528D+01  0.127944D+01 -0.143894D+01 -0.125929D+01
               136           137           138           139           140 
      1  -0.389955D+01  0.334960D+01 -0.741156D+00  0.260709D+01 -0.223675D+01
      2  -0.254766D+01  0.102049D+01  0.375604D+01  0.128156D+01 -0.659151D+00
      3   0.872590D+01 -0.872552D+01  0.232297D+01 -0.538356D+01  0.565252D+01
               141           142           143           144           145 
      1   0.415920D-01 -0.115366D+01  0.164000D+01 -0.123790D+01  0.691596D+00
      2  -0.307062D+01 -0.743276D+00 -0.971053D+00  0.182083D+01 -0.288646D+00
      3  -0.150419D+01  0.214285D+01 -0.110273D+01  0.216751D+01 -0.876422D+00
               146           147           148           149           150 
      1   0.232256D+01 -0.407028D+00  0.215444D+01  0.740711D+01 -0.359085D+01
      2  -0.797980D+00  0.790143D+00 -0.102706D+01 -0.479986D+00  0.366682D+01
      3  -0.460138D+01  0.290967D-01 -0.169927D+01 -0.159200D+02 -0.121677D+01
               151           152           153 
      1   0.344563D+00  0.251208D+00  0.657718D+00
      2  -0.946980D+00  0.151773D+01  0.413066D+00
      3  -0.322157D+00  0.243422D+00 -0.186690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.553689D-01  0.253698D+01  0.475730D+00 -0.370630D+01 -0.517261D+01
      2  -0.468993D+01 -0.158549D+02  0.573822D+00 -0.670951D+01  0.143752D+01
      3   0.474530D+01  0.133179D+02 -0.104955D+01  0.104158D+02  0.373509D+01
      4  -0.667511D+01 -0.141349D+02 -0.308871D+01 -0.602402D+01 -0.154284D+02
      5   0.168559D-01 -0.217551D+01  0.445651D+00 -0.156879D+01 -0.124721D+01
      6  -0.362388D+01 -0.335312D+00  0.293471D+01 -0.194873D+01 -0.403698D+01
                 6             7             8             9            10 
      1   0.232472D+01  0.509388D+01 -0.437164D+01  0.104749D+02 -0.392590D+02
      2  -0.356809D+01 -0.312920D+01 -0.569337D+01  0.365836D+01  0.198966D+02
      3   0.124338D+01 -0.196468D+01  0.100650D+02 -0.141333D+02  0.193625D+02
      4  -0.116269D+01 -0.723078D+01  0.601505D-01 -0.340065D+01  0.168119D+02
      5  -0.165006D+01 -0.387682D+00 -0.103617D+01  0.428772D+01  0.945115D+01
      6   0.389362D+01  0.351218D+01 -0.380286D+01  0.152165D+02 -0.443070D+01
                11            12            13            14            15 
      1   0.625710D+01  0.176286D+01  0.145505D+02  0.282918D+00 -0.505205D+01
      2   0.291906D+01 -0.592837D+01 -0.934575D+01 -0.263023D+01  0.155639D+01
      3  -0.917615D+01  0.416551D+01 -0.520471D+01  0.234731D+01  0.349567D+01
      4  -0.115239D+02 -0.186241D+01 -0.264922D+01  0.281512D+01  0.965978D+00
      5  -0.936855D+00 -0.970750D+01 -0.230063D+01  0.185929D+01  0.459371D+01
      6   0.663035D+01  0.297987D+01  0.227851D+01  0.831637D+00 -0.423465D+01
                16            17            18            19            20 
      1   0.100083D+02 -0.403861D+01 -0.713664D+01 -0.159445D+01 -0.325570D+01
      2  -0.483248D+01  0.258652D+01 -0.850261D+00  0.338380D+01  0.184988D+01
      3  -0.517586D+01  0.145209D+01  0.798690D+01 -0.178935D+01  0.140582D+01
      4  -0.159499D+01  0.573182D+01  0.309068D+01  0.441560D+00  0.262236D+01
      5   0.141524D+01  0.113117D+01  0.728101D+01 -0.459243D+01 -0.112486D+01
      6   0.182715D+01  0.616419D+00  0.519577D+00 -0.350023D+01 -0.303155D+01
                21            22            23            24            25 
      1   0.591076D+01  0.442701D+01  0.726544D+01  0.283928D+01 -0.312576D+00
      2   0.338822D+01 -0.383772D+01 -0.190862D+02 -0.258588D+01  0.188260D+01
      3  -0.929898D+01 -0.589285D+00  0.118207D+02 -0.253395D+00 -0.157003D+01
      4  -0.615278D+00 -0.819572D-01  0.335423D+01 -0.485200D+00 -0.116352D+01
      5   0.776794D+00 -0.128327D+01 -0.320291D+00  0.383938D+01  0.302430D+01
      6   0.574066D+01  0.689756D+00 -0.348194D+01  0.365700D+01  0.111890D+01
                26            27            28            29            30 
      1   0.115575D+01  0.179078D+02  0.405795D+00 -0.356136D+01  0.584634D+01
      2  -0.812891D+01  0.452438D+01  0.323635D+01  0.122799D+01 -0.490914D+01
      3   0.697315D+01 -0.224322D+02 -0.364214D+01  0.233337D+01 -0.937197D+00
      4  -0.217270D+01  0.314075D+01 -0.393916D+01  0.213792D+01 -0.148238D+01
      5   0.265346D+01 -0.103805D+02  0.125483D+02  0.111692D+01 -0.172324D+02
      6   0.758106D+00  0.108792D+02  0.236777D+01 -0.149549D+01 -0.451689D+01
                31            32            33            34            35 
      1  -0.700229D+01  0.628182D+01 -0.322636D+01  0.118227D+01 -0.351756D+01
      2   0.493816D+01 -0.312393D+01  0.214494D+01 -0.474924D+01  0.653919D+00
      3   0.206414D+01 -0.315790D+01  0.108142D+01  0.356697D+01  0.286364D+01
      4   0.455715D+01  0.678942D+01  0.570572D+00 -0.489866D+01 -0.264479D+01
      5  -0.801157D+00  0.953881D+00 -0.552319D+01 -0.203762D+02 -0.687428D+01
      6   0.793192D+00 -0.903618D+00 -0.158290D+01 -0.477795D+01 -0.304060D+00
                36            37            38            39            40 
      1  -0.153189D+02 -0.278217D+01  0.161336D+01 -0.388957D+00  0.329463D+01
      2   0.126324D+02 -0.419269D+01  0.920528D+01 -0.137859D+01  0.691060D+01
      3   0.268647D+01  0.697485D+01 -0.108186D+02  0.176755D+01 -0.102052D+02
      4  -0.836836D+01  0.468709D+01 -0.124230D+02  0.764845D+01 -0.103643D+02
      5   0.101612D+02 -0.640587D+01  0.332031D+01  0.159044D+01  0.864369D+00
      6   0.157863D+01  0.512799D+01 -0.429726D+01 -0.309784D+01 -0.369693D+01
                41            42            43            44            45 
      1  -0.530060D+01  0.570152D+01 -0.986898D+00  0.928208D+01  0.139494D+02
      2   0.680836D+01  0.208076D+01 -0.208309D+01  0.277341D+01 -0.527241D+01
      3  -0.150776D+01 -0.778228D+01  0.306999D+01 -0.120555D+02 -0.867694D+01
      4   0.684126D+01 -0.289532D+01  0.120278D+02 -0.248462D+01  0.651033D+01
      5  -0.244143D+01  0.171797D+01  0.282249D+01  0.408616D+01  0.223945D+01
      6   0.162751D+01 -0.909512D+01 -0.754299D+00 -0.111073D+02 -0.189131D+02
                46            47            48            49            50 
      1   0.841330D+02 -0.126247D+02 -0.687255D+01 -0.131453D+02  0.956996D+01
      2  -0.440737D+02  0.285121D+01  0.626930D+01  0.411935D+01  0.692879D+00
      3  -0.400593D+02  0.977352D+01  0.603254D+00  0.902594D+01 -0.102628D+02
      4  -0.250945D+02  0.228611D+02  0.352631D+01  0.240016D+02 -0.156847D+02
      5  -0.118101D+02  0.220512D+01  0.202852D+02  0.421849D+01 -0.404638D+01
      6   0.749514D+01 -0.417117D+01 -0.500971D+01 -0.454425D+01  0.388598D+01
                51            52            53            54            55 
      1   0.201526D+01 -0.712197D+01  0.212362D+01  0.109847D+02 -0.210049D+01
      2  -0.124364D+01  0.630459D+01 -0.917189D-01 -0.109304D+02 -0.736924D+00
      3  -0.771615D+00  0.817388D+00 -0.203191D+01 -0.542408D-01  0.283741D+01
      4  -0.508909D+01  0.526475D+01 -0.548586D+01 -0.739516D+01  0.325056D+00
      5  -0.622362D+01  0.233158D+02 -0.674934D+01 -0.122094D+02 -0.319108D+00
      6   0.704884D+01 -0.595830D+01  0.779925D+01  0.361900D+01 -0.246492D+01
                56            57            58            59            60 
      1   0.746446D+00 -0.149665D+01 -0.191017D+00 -0.460699D+01  0.308515D+01
      2   0.553020D+00  0.450770D+00  0.854036D+00  0.381672D+01 -0.366859D+01
      3  -0.129947D+01  0.104588D+01 -0.663019D+00  0.790267D+00  0.583437D+00
      4   0.465075D+01 -0.222531D+01  0.216413D+01  0.255875D+01 -0.885041D+00
      5  -0.108579D+01  0.479882D+01  0.507498D+00 -0.368015D+00 -0.303172D+00
      6  -0.226451D+00 -0.175996D+01 -0.177162D+00 -0.422583D+01  0.641446D+01
                61            62            63            64            65 
      1  -0.332596D+01  0.908338D+01 -0.191928D+02  0.815716D+01 -0.375512D+00
      2   0.152127D+01 -0.338330D+01 -0.829033D+01  0.423495D+01  0.127447D+02
      3   0.180469D+01 -0.570008D+01  0.274832D+02 -0.123921D+02 -0.123692D+02
      4  -0.292876D+01 -0.323523D+01  0.470691D+01  0.202888D+02  0.231592D+02
      5   0.502494D+01  0.215170D+01 -0.779650D+01  0.982138D+00  0.575615D+00
      6  -0.105402D+00  0.120232D+02 -0.236050D+02  0.984297D+00  0.289034D+00
                66            67            68            69            70 
      1   0.404475D+00 -0.265406D+00 -0.900558D+01  0.202382D+00  0.785220D+00
      2   0.161441D+00  0.999367D+01  0.253966D+02  0.152571D+01  0.868993D+00
      3  -0.565916D+00 -0.972827D+01 -0.163911D+02 -0.172809D+01 -0.165421D+01
      4   0.909276D+00  0.164857D+02  0.232591D+02  0.149020D+01  0.482696D+01
      5   0.411635D+01  0.741343D+00  0.223896D+01  0.232914D+01  0.340669D+01
      6   0.320038D+01  0.322176D+00  0.107585D+01  0.532844D+01  0.302609D+01
                71            72            73            74            75 
      1  -0.422148D+00 -0.295695D+01  0.498047D+00  0.237190D+01 -0.400867D+01
      2   0.491841D+01  0.244623D+01 -0.401861D+01 -0.599838D+00 -0.310714D+01
      3  -0.449626D+01  0.510720D+00  0.352056D+01 -0.177206D+01  0.711580D+01
      4   0.457702D+01  0.515785D+01 -0.164964D+01  0.331552D+01 -0.375409D+01
      5   0.398150D+01  0.158852D+01  0.515116D+01 -0.231509D+01  0.939419D+01
      6   0.712880D+01  0.603456D+00 -0.252219D+01  0.310286D+01 -0.522069D+01
                76            77            78            79            80 
      1   0.262551D+00 -0.613360D+01  0.218205D+01 -0.139099D+01  0.672932D+01
      2   0.577730D+00  0.382214D+01 -0.330534D+01 -0.247150D+01 -0.909958D+00
      3  -0.840280D+00  0.231146D+01  0.112329D+01  0.386250D+01 -0.581936D+01
      4   0.123381D+01 -0.457600D+00  0.130173D+01 -0.403778D+01  0.207790D+01
      5   0.235910D+00  0.152432D+01 -0.209220D+00  0.672601D+01 -0.219155D+01
      6   0.132383D+01 -0.352929D+01  0.663279D+01 -0.266233D+01  0.101654D+02
                81            82            83            84            85 
      1  -0.258489D+02  0.162378D+00  0.429125D+00 -0.107813D+01 -0.124541D+01
      2  -0.135275D+02  0.295568D+01 -0.113416D+01  0.565127D+00  0.123642D+01
      3   0.393764D+02 -0.311805D+01  0.705038D+00  0.513006D+00  0.898136D-02
      4  -0.314259D+01 -0.297778D+00  0.818537D+01  0.471906D+00  0.679635D+01
      5   0.114678D+02 -0.529836D+00 -0.113749D+01  0.191713D+01 -0.450502D+00
      6  -0.199477D+02  0.708072D+00  0.495098D+00 -0.262553D+00  0.407398D+00
                86            87            88            89            90 
      1  -0.239277D+02  0.770284D+00 -0.364605D+00 -0.359141D+01 -0.540087D+01
      2   0.424493D+02  0.176573D+01  0.133195D+00  0.855108D+01  0.341181D+01
      3  -0.185216D+02 -0.253602D+01  0.231410D+00 -0.495966D+01  0.198906D+01
      4  -0.168306D+01  0.118361D-01  0.240533D+01 -0.133995D+01 -0.244311D+00
      5   0.194465D+00 -0.577178D+00  0.846959D+00 -0.190119D+00  0.767596D+00
      6  -0.387952D+01  0.653153D+01  0.178671D+00  0.607831D+01  0.732441D+00
                91            92            93            94            95 
      1   0.168967D+02  0.223203D+01 -0.768378D+01  0.232605D+01  0.159057D+00
      2  -0.146437D+02 -0.182760D+01  0.959914D+01 -0.144503D+01 -0.207596D-01
      3  -0.225301D+01 -0.404429D+00 -0.191536D+01 -0.881023D+00 -0.138297D+00
      4   0.501409D+01  0.518168D+01 -0.198425D+01  0.551776D+01  0.138879D+01
      5  -0.199810D+02 -0.218154D+01  0.199991D+02 -0.202696D+01 -0.533053D+01
      6  -0.272108D+01 -0.253780D+01  0.336534D+01 -0.282341D+01 -0.200707D+01
                96            97            98            99           100 
      1  -0.116735D-01 -0.695296D+01 -0.544068D-01  0.185938D+01 -0.176638D+02
      2   0.138170D+00  0.113855D+02  0.112610D+01 -0.154061D+02  0.113078D+02
      3  -0.126496D+00 -0.443258D+01 -0.107169D+01  0.135467D+02  0.635597D+01
      4  -0.402639D+01 -0.242508D+01 -0.357318D+01  0.298640D+01  0.111576D+02
      5   0.318133D+01  0.207275D+02  0.341577D+01 -0.258849D+02 -0.107878D+02
      6   0.559638D+01  0.288139D+01  0.498263D+01 -0.505879D+01  0.336605D+01
               101           102           103           104           105 
      1   0.152836D+02 -0.158545D+02  0.201125D+02 -0.104386D+02  0.441616D+01
      2  -0.139151D+02 -0.119959D+00 -0.184859D+02 -0.907593D+01 -0.554190D+01
      3  -0.136856D+01  0.159744D+02 -0.162657D+01  0.195146D+02  0.112574D+01
      4  -0.106696D+02  0.269692D+01 -0.159929D+02 -0.255276D+02 -0.170904D+01
      5   0.683128D+01  0.813423D+01  0.864648D+01 -0.395229D+01  0.558724D+01
      6  -0.353980D+01  0.602488D+01 -0.458452D+01 -0.522397D+01  0.260238D+01
               106           107           108           109           110 
      1  -0.127002D+02  0.392289D+01  0.180191D+02 -0.126435D+01 -0.272024D+01
      2   0.544683D+00 -0.374153D+01 -0.475207D+01  0.256758D+00  0.108639D+01
      3   0.121555D+02 -0.181356D+00 -0.132670D+02  0.100759D+01  0.163385D+01
      4   0.408988D+01  0.185688D+01  0.103401D+02 -0.328340D+00  0.469265D+01
      5   0.976071D+01  0.630784D+01  0.267012D+01  0.516901D+00  0.177735D+01
      6   0.656022D+01  0.180860D+01  0.384543D+00  0.339026D+01  0.237951D+01
               111           112           113           114           115 
      1  -0.259270D+01 -0.698554D+00 -0.924109D+01 -0.863194D+01 -0.206157D+01
      2   0.117057D+01 -0.556295D+00  0.845211D+01  0.555404D+01  0.123167D+01
      3   0.142214D+01  0.125485D+01  0.788984D+00  0.307790D+01  0.829895D+00
      4   0.247755D+01  0.435478D+01 -0.338716D+01 -0.205379D+01  0.357224D+01
      5   0.475993D+01  0.123309D+01 -0.171836D+01 -0.189528D+01  0.467773D+01
      6   0.321630D+01  0.493403D+00  0.118633D+02  0.140445D+02 -0.517571D+00
               116           117           118           119           120 
      1  -0.126795D+02 -0.207288D+02  0.103871D+02 -0.111244D+01  0.184897D+01
      2   0.676047D+01 -0.160260D+01  0.279957D+01 -0.994289D+01  0.791971D+00
      3   0.591900D+01  0.223314D+02 -0.131867D+02  0.110553D+02 -0.264094D+01
      4  -0.444929D+01 -0.519222D+01 -0.206485D+02  0.194122D+02 -0.485831D+01
      5  -0.391533D+01 -0.707428D+01  0.349768D+01 -0.182933D+01  0.453112D+01
      6   0.183300D+02  0.286808D+02 -0.325494D+01  0.177047D+01 -0.382544D+01
               121           122           123           124           125 
      1  -0.139596D+01 -0.420426D+01  0.276740D-01  0.216212D+01  0.913891D+00
      2  -0.829318D+01  0.171453D+02 -0.344247D+01  0.148761D+01 -0.669796D+01
      3   0.968914D+01 -0.129411D+02  0.341480D+01 -0.364973D+01  0.578407D+01
      4   0.162410D+02 -0.188636D+02  0.381493D+01 -0.847879D+01  0.801686D+01
      5  -0.155780D+01  0.218502D+01 -0.268789D+01  0.477607D+01 -0.390113D+01
      6   0.170937D+01 -0.335004D+01  0.617492D+01 -0.379353D+01  0.708044D+01
               126           127           128           129           130 
      1  -0.181909D+01 -0.519361D+01 -0.108102D+01  0.107363D+02 -0.276906D+01
      2   0.231831D+01 -0.417210D+00  0.645956D+00  0.178127D+01  0.225661D+01
      3  -0.499219D+00  0.561082D+01  0.435067D+00 -0.125176D+02  0.512444D+00
      4  -0.591893D+01 -0.383907D+01 -0.899461D-01  0.126923D+01  0.226960D+01
      5   0.366237D+01 -0.210727D+01 -0.131265D+01 -0.279424D+01 -0.137670D+01
      6  -0.296257D+01  0.687060D+00 -0.263347D+01 -0.400986D+01 -0.768395D+00
               131           132           133           134           135 
      1  -0.191914D+01 -0.424217D+00  0.111512D+02 -0.940963D+00 -0.197033D+02
      2   0.155446D+01  0.195811D+01 -0.128266D+01  0.153943D+01 -0.857760D+01
      3   0.364678D+00 -0.153390D+01 -0.986856D+01 -0.598472D+00  0.282809D+02
      4   0.214520D+01  0.179515D+01  0.263747D+01  0.287736D+01 -0.277291D+01
      5   0.133836D+01 -0.162290D+01  0.292645D+01  0.607084D-01  0.110036D+02
      6   0.843087D+00  0.369037D+01 -0.155381D+01  0.490885D+01  0.638282D+01
               136           137           138           139           140 
      1   0.487633D+02 -0.125583D+02  0.920314D+01 -0.212670D+02  0.956069D+01
      2  -0.284924D+02  0.835218D+01 -0.773130D+01  0.125997D+02 -0.308012D+01
      3  -0.202709D+02  0.420611D+01 -0.147184D+01  0.866726D+01 -0.648057D+01
      4  -0.779596D+01  0.117303D+02 -0.164773D+01  0.116367D+02 -0.804720D+01
      5   0.191248D+02 -0.491876D+01  0.121066D+02 -0.946389D+01  0.456512D+01
      6  -0.318997D+01  0.424562D+01 -0.105677D+01  0.398836D+01 -0.316884D+01
               141           142           143           144           145 
      1  -0.388943D+01  0.640824D+01 -0.162892D+01  0.371662D+01  0.930763D+01
      2   0.435004D+01 -0.581048D+01  0.232036D+01 -0.556332D+01 -0.120531D+01
      3  -0.460613D+00 -0.597757D+00 -0.691440D+00  0.184670D+01 -0.810233D+01
      4   0.261442D+01 -0.121797D+01  0.886746D+00 -0.320845D+01  0.105209D+02
      5  -0.755163D+01  0.104013D+02 -0.437081D+01  0.617911D+01  0.362990D+01
      6   0.178859D+01 -0.156463D+01  0.210690D+01 -0.512501D+00  0.158127D+01
               146           147           148           149           150 
      1   0.445723D+01  0.163469D+01  0.739385D+01 -0.283690D+01 -0.127768D+01
      2   0.251951D+01 -0.500813D+00  0.382558D+01  0.247762D+02  0.179789D+00
      3  -0.697674D+01 -0.113388D+01 -0.112194D+02 -0.219393D+02  0.109789D+01
      4   0.153930D+02  0.942158D+00  0.214522D+02  0.389064D+02  0.412729D+01
      5   0.161459D+01  0.273650D+01  0.438252D+01  0.456508D+01  0.699538D+01
      6   0.335534D+01  0.129756D+01  0.492293D+01  0.121030D+02  0.736665D+01
               151           152           153 
      1  -0.497275D+00 -0.914694D+00 -0.271082D+01
      2   0.748202D-01 -0.153185D+01  0.187588D+01
      3   0.422454D+00  0.244654D+01  0.834937D+00
      4  -0.848130D+00 -0.699132D+00  0.371052D+01
      5   0.251012D+01  0.441931D+01  0.422631D+00
      6   0.156211D+01  0.592818D+01  0.825986D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 19:43:05 2021, MaxMem=  5637144576 cpu:           12693.0 elap:            1596.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.92935 -10.15042 -10.07655 -10.06641 -10.06624
 Alpha  occ. eigenvalues --  -10.06460 -10.05595  -1.15095  -0.97516  -0.86851
 Alpha  occ. eigenvalues --   -0.83554  -0.78139  -0.68584  -0.65094  -0.61222
 Alpha  occ. eigenvalues --   -0.58625  -0.55805  -0.53573  -0.52541  -0.51171
 Alpha  occ. eigenvalues --   -0.50396  -0.48377  -0.45371  -0.44210  -0.43554
 Alpha  occ. eigenvalues --   -0.43119  -0.34366
 Alpha virt. eigenvalues --    0.02707   0.03700   0.04058   0.04604   0.05549
 Alpha virt. eigenvalues --    0.06229   0.06304   0.06554   0.07038   0.07930
 Alpha virt. eigenvalues --    0.09565   0.10109   0.11347   0.13009   0.13580
 Alpha virt. eigenvalues --    0.13654   0.14183   0.14267   0.14735   0.14959
 Alpha virt. eigenvalues --    0.15442   0.16536   0.16745   0.16788   0.17972
 Alpha virt. eigenvalues --    0.18232   0.18781   0.19107   0.19738   0.20443
 Alpha virt. eigenvalues --    0.20663   0.21578   0.23194   0.23526   0.23735
 Alpha virt. eigenvalues --    0.25954   0.26751   0.27815   0.28947   0.29376
 Alpha virt. eigenvalues --    0.30925   0.32053   0.32915   0.33083   0.33335
 Alpha virt. eigenvalues --    0.34260   0.34885   0.35459   0.36587   0.37546
 Alpha virt. eigenvalues --    0.38107   0.39365   0.39813   0.41010   0.41570
 Alpha virt. eigenvalues --    0.41737   0.42115   0.43152   0.43458   0.43901
 Alpha virt. eigenvalues --    0.45469   0.45725   0.46075   0.47242   0.48374
 Alpha virt. eigenvalues --    0.48756   0.49759   0.50799   0.51679   0.52339
 Alpha virt. eigenvalues --    0.53381   0.54301   0.54862   0.56193   0.57079
 Alpha virt. eigenvalues --    0.57651   0.58764   0.59585   0.60171   0.61131
 Alpha virt. eigenvalues --    0.61967   0.63130   0.64407   0.65203   0.65927
 Alpha virt. eigenvalues --    0.66185   0.66981   0.67911   0.69693   0.70709
 Alpha virt. eigenvalues --    0.71488   0.72586   0.72786   0.73931   0.74448
 Alpha virt. eigenvalues --    0.75813   0.76032   0.76322   0.77865   0.78244
 Alpha virt. eigenvalues --    0.78560   0.80269   0.81400   0.81998   0.83607
 Alpha virt. eigenvalues --    0.83933   0.85214   0.85521   0.86472   0.88487
 Alpha virt. eigenvalues --    0.90177   0.91034   0.93127   0.95207   0.96930
 Alpha virt. eigenvalues --    0.97958   0.98691   1.01428   1.02368   1.04066
 Alpha virt. eigenvalues --    1.05622   1.07436   1.09224   1.11893   1.12780
 Alpha virt. eigenvalues --    1.15634   1.16305   1.19886   1.22113   1.22717
 Alpha virt. eigenvalues --    1.23975   1.24567   1.26469   1.29059   1.29633
 Alpha virt. eigenvalues --    1.30096   1.31997   1.36327   1.38428   1.43717
 Alpha virt. eigenvalues --    1.44879   1.47287   1.50003   1.52558   1.55223
 Alpha virt. eigenvalues --    1.56188   1.57705   1.60528   1.63808   1.65946
 Alpha virt. eigenvalues --    1.66265   1.68274   1.69545   1.72590   1.72932
 Alpha virt. eigenvalues --    1.75029   1.75938   1.76944   1.79124   1.81042
 Alpha virt. eigenvalues --    1.81629   1.84783   1.86117   1.87180   1.90934
 Alpha virt. eigenvalues --    1.91737   1.92656   1.94429   1.95536   1.97401
 Alpha virt. eigenvalues --    1.98981   2.00135   2.01062   2.04732   2.07618
 Alpha virt. eigenvalues --    2.09155   2.10183   2.11671   2.14636   2.15635
 Alpha virt. eigenvalues --    2.17236   2.20506   2.21656   2.22282   2.24730
 Alpha virt. eigenvalues --    2.26717   2.29853   2.31373   2.33594   2.36016
 Alpha virt. eigenvalues --    2.37826   2.38419   2.40594   2.43885   2.47503
 Alpha virt. eigenvalues --    2.49973   2.51730   2.51911   2.54241   2.59769
 Alpha virt. eigenvalues --    2.62047   2.63295   2.64991   2.66744   2.70463
 Alpha virt. eigenvalues --    2.72878   2.73168   2.77315   2.85873   2.88391
 Alpha virt. eigenvalues --    2.91052   2.92748   2.98804   3.06664   3.10084
 Alpha virt. eigenvalues --    3.19388   3.21529   3.41511   3.51478   3.52495
 Alpha virt. eigenvalues --    3.56037   3.66222   3.80821   3.94955
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.575573  -0.220182  -0.194346  -0.541805   0.244801  -0.000287
     2  C   -0.220182   6.812348  -0.187663  -0.394587  -0.063188   0.063835
     3  C   -0.194346  -0.187663   5.777921  -0.307441  -0.146230   0.007834
     4  C   -0.541805  -0.394587  -0.307441   8.471847  -0.511659   0.027555
     5  C    0.244801  -0.063188  -0.146230  -0.511659   5.637472  -0.025271
     6  O   -0.000287   0.063835   0.007834   0.027555  -0.025271   8.422104
     7  H    0.009269  -0.009635   0.001693   0.071684   0.061936  -0.000264
     8  H    0.016556   0.002236   0.058927   0.000783   0.048397   0.007833
     9  H    0.055635  -0.207908   0.146264   0.401686  -0.129016   0.030267
    10  H    0.092667   0.120889  -0.143083  -0.401205   0.096419  -0.015671
    11  H    0.091624   0.028729   0.257273  -1.180261   0.200433   0.001378
    12  C    0.086362  -0.004839  -0.093071   0.237774  -0.116131  -0.002985
    13  H   -0.046094   0.054147  -0.111519   0.322575  -0.149931  -0.009607
    14  H    0.275789  -0.056957   0.131455  -0.276526  -0.223588   0.007081
    15  H    0.030680  -0.085523  -0.096026   0.249362  -0.157585   0.008556
    16  H    0.050628  -0.006457  -0.036007  -0.027638   0.033908  -0.000514
    17  H   -0.045407   0.085445   0.052935  -0.020559   0.010472  -0.005074
               7          8          9         10         11         12
     1  C    0.009269   0.016556   0.055635   0.092667   0.091624   0.086362
     2  C   -0.009635   0.002236  -0.207908   0.120889   0.028729  -0.004839
     3  C    0.001693   0.058927   0.146264  -0.143083   0.257273  -0.093071
     4  C    0.071684   0.000783   0.401686  -0.401205  -1.180261   0.237774
     5  C    0.061936   0.048397  -0.129016   0.096419   0.200433  -0.116131
     6  O   -0.000264   0.007833   0.030267  -0.015671   0.001378  -0.002985
     7  H    1.559170  -0.342237  -0.004518   0.001152  -0.011705   0.003827
     8  H   -0.342237   1.588223  -0.006674   0.007255   0.024280  -0.017316
     9  H   -0.004518  -0.006674   1.462161  -0.374314  -0.168019  -0.014689
    10  H    0.001152   0.007255  -0.374314   1.906670   0.032800   0.013363
    11  H   -0.011705   0.024280  -0.168019   0.032800   2.362792   0.032567
    12  C    0.003827  -0.017316  -0.014689   0.013363   0.032567   4.461215
    13  H    0.126477  -0.201964   0.002260   0.014599  -0.176004   0.019151
    14  H   -0.241548   0.051547   0.017225  -0.001249   0.033350  -0.018731
    15  H    0.000886   0.003660   0.001759  -0.046750   0.096432   0.224933
    16  H    0.003472   0.000544  -0.009059   0.032038  -0.065511   0.241489
    17  H   -0.001565  -0.001837   0.020171  -0.033222  -0.067536   0.223628
              13         14         15         16         17
     1  C   -0.046094   0.275789   0.030680   0.050628  -0.045407
     2  C    0.054147  -0.056957  -0.085523  -0.006457   0.085445
     3  C   -0.111519   0.131455  -0.096026  -0.036007   0.052935
     4  C    0.322575  -0.276526   0.249362  -0.027638  -0.020559
     5  C   -0.149931  -0.223588  -0.157585   0.033908   0.010472
     6  O   -0.009607   0.007081   0.008556  -0.000514  -0.005074
     7  H    0.126477  -0.241548   0.000886   0.003472  -0.001565
     8  H   -0.201964   0.051547   0.003660   0.000544  -0.001837
     9  H    0.002260   0.017225   0.001759  -0.009059   0.020171
    10  H    0.014599  -0.001249  -0.046750   0.032038  -0.033222
    11  H   -0.176004   0.033350   0.096432  -0.065511  -0.067536
    12  C    0.019151  -0.018731   0.224933   0.241489   0.223628
    13  H    2.054307  -0.542397  -0.008936   0.028594  -0.005797
    14  H   -0.542397   2.224536  -0.036044  -0.032617   0.023863
    15  H   -0.008936  -0.036044   1.623986  -0.346973  -0.335937
    16  H    0.028594  -0.032617  -0.346973   1.734299  -0.379686
    17  H   -0.005797   0.023863  -0.335937  -0.379686   1.684340
 Mulliken charges:
               1
     1  C    0.518537
     2  C    0.069310
     3  C    0.881085
     4  C   -0.121586
     5  C    1.188760
     6  O   -0.516769
     7  H   -0.228094
     8  H   -0.240213
     9  H   -0.223228
    10  H   -0.302359
    11  H   -0.492622
    12  C    0.723452
    13  H   -0.369860
    14  H   -0.335189
    15  H   -0.126480
    16  H   -0.220512
    17  H   -0.204233
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.050231
     2  C    0.069310
     3  C    0.355498
     4  C   -0.614208
     5  C    0.483711
     6  O   -0.516769
    12  C    0.172227
 Electronic spatial extent (au):  <R**2>=            753.1845
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0743    Y=              1.0134    Z=              0.8114  Tot=              3.3372
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.2771   YY=            -42.6436   ZZ=            -42.2594
   XY=              2.9881   XZ=              1.8053   YZ=             -0.6881
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5504   YY=              3.0831   ZZ=              3.4673
   XY=              2.9881   XZ=              1.8053   YZ=             -0.6881
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.3000  YYY=             -1.9427  ZZZ=              1.1283  XYY=              1.0664
  XXY=              7.4630  XXZ=              4.6780  XZZ=              2.8346  YZZ=              0.2312
  YYZ=              0.0143  XYZ=             -0.2429
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -616.3652 YYYY=           -284.6139 ZZZZ=           -154.3125 XXXY=             10.6305
 XXXZ=              8.9351 YYYX=              3.4474 YYYZ=              1.2808 ZZZX=             -4.1355
 ZZZY=             -1.8268 XXYY=           -142.3250 XXZZ=           -122.3845 YYZZ=            -75.7358
 XXYZ=             -2.5120 YYXZ=              0.9951 ZZXY=             -2.0653
 N-N= 3.098033475478D+02 E-N=-1.339360420388D+03  KE= 3.073185283241D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 19:43:06 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8077    0.8072       -0.5105   -0.5106
 2     -0.8077   -0.8072        0.7886    0.7883       -3.5488   -3.5487
 3      0.5105    0.5106        7.8713    7.8703       -0.7888   -0.7883
 4     -0.7886   -0.7883        0.0000    0.0000        0.5104    0.5106
 5     -4.3225   -4.3215       -0.5104   -0.5106        0.8075    0.8072
 6      0.7888    0.7883       -0.8075   -0.8072       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4217   -2.4217       -1.5317   -1.5317
 2     -2.3650   -2.3650        0.0000    0.0000       -1.5317   -1.5317
 3     -2.3650   -2.3650       -2.4217   -2.4217        0.0000    0.0000
 4     -2.4217   -2.4217        2.3650    2.3650      -10.6462  -10.6462
 5      1.5317    1.5317       23.6108   23.6108       -2.3650   -2.3650
 6    -12.9646  -12.9646       -1.5317   -1.5317        2.4217    2.4217
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0042    0.0000       -3.2304   -3.2289        2.0558    2.0422
 2      3.2205    3.2289       -3.1624   -3.1534       14.1830   14.1950
 3     -2.0505   -2.0422      -31.4855  -31.4811        3.1604    3.1534
 4      3.1645    3.1534       -0.0036    0.0000       -2.0261   -2.0422
 5     17.2898   17.2861        2.0523    2.0422       -3.2196   -3.2289
 6     -3.1604   -3.1534        3.2271    3.2289        0.0020    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0036    0.0000        3.7342    3.7138        9.0498    9.0456
 2     -3.7046   -3.7138       -4.1733   -4.2006       11.9700   11.9470
 3     -9.0471   -9.0456       -0.0979   -0.0846        4.1961    4.2006
 4      4.1951    4.2006       -0.0098    0.0000       -9.0622   -9.0456
 5    -11.8625  -11.8623        9.0658    9.0456        3.6798    3.7138
 6     -4.2022   -4.2006       -3.7130   -3.7138        0.0066    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.5674    1.5895       14.5709   14.5871      -24.0606  -24.0536
 2     10.3193   10.3531       19.0496   19.0712      -24.0867  -24.0536
 3     10.3157   10.3531       14.5805   14.5871      -35.0931  -35.0774
 4     -4.4939   -4.4841       -8.7246   -8.7636       21.0668   21.0752
 5    -11.0259  -11.0238        8.2903    8.3161        8.7388    8.7636
 6    -29.3760  -29.3912       11.0582   11.0238        4.4785    4.4841
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.1365                 0.6071                 0.0472
  Dep-P Fr= 1--      0.7430                 0.6583                 0.7092
  Dep-U Fr= 1--      0.8526                 0.7940                 0.8299
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1615                 0.0803                 0.0065
 AlphaG Fr= 1--      0.0004                -0.0019                 0.0006
 Gamma2 Fr= 1--      0.1401                -0.0386                 0.0054
 Delta2 Fr= 1--     -0.1267                 0.0713                 0.0033
 Raman1 Fr= 1--       4.546                  2.428                  0.189
 ROA1   Fr= 1--       9.394                 -1.430                  0.627
 CID1   Fr= 1--       2.066                 -0.589                  3.322
 Raman2 Fr= 1--       1.938                  0.964                  0.078
 ROA2   Fr= 1--       4.376                 -1.498                  0.103
 CID2   Fr= 1--       2.258                 -1.553                  1.318
 Raman3 Fr= 1--       3.876                  1.928                  0.157
 ROA3   Fr= 1--       9.394                 -1.430                  0.627
 CID3   Fr= 1--       2.424                 -0.742                  4.003
 RC180  Fr= 1--       0.705                  0.588                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.6616                 0.8202                 0.6570
  Dep-P Fr= 1--      0.6284                 0.1718                 0.7425
  Dep-U Fr= 1--      0.7718                 0.2932                 0.8523
 Alpha2 Fr= 1--      0.0015                 0.0120                 0.0001
 Beta2  Fr= 1--      0.0851                 0.0401                 0.0933
 AlphaG Fr= 1--     -0.0090                 0.0107                -0.0003
 Gamma2 Fr= 1--     -0.1629                -0.0155                 1.4113
 Delta2 Fr= 1--     -0.0798                 0.0338                 0.1095
 Raman1 Fr= 1--       2.646                  3.281                  2.628
 ROA1   Fr= 1--     -18.194                 -0.412                138.986
 CID1   Fr= 1--      -6.875                 -0.126                 52.887
 Raman2 Fr= 1--       1.021                  0.481                  1.120
 ROA2   Fr= 1--      -3.272                 -0.643                 32.994
 CID2   Fr= 1--      -3.205                 -1.337                 29.463
 Raman3 Fr= 1--       2.042                  0.962                  2.240
 ROA3   Fr= 1--     -18.194                 -0.412                138.986
 CID3   Fr= 1--      -8.909                 -0.429                 62.055
 RC180  Fr= 1--       0.544                 -0.414                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.4980                 3.2583                 2.1510
  Dep-P Fr= 1--      0.7496                 0.2282                 0.1053
  Dep-U Fr= 1--      0.8569                 0.3717                 0.1906
 Alpha2 Fr= 1--      0.0000                 0.0410                 0.0372
 Beta2  Fr= 1--      0.2139                 0.2018                 0.0683
 AlphaG Fr= 1--     -0.0005                -0.1453                -0.0431
 Gamma2 Fr= 1--     -1.4385                -0.8676                 0.4203
 Delta2 Fr= 1--      0.0212                 0.1144                 0.0446
 Raman1 Fr= 1--       5.992                 13.033                  8.604
 ROA1   Fr= 1--    -137.417                -79.630                 41.778
 CID1   Fr= 1--     -22.934                 -6.110                  4.856
 Raman2 Fr= 1--       2.567                  2.422                  0.820
 ROA2   Fr= 1--     -34.693                -21.737                  9.731
 CID2   Fr= 1--     -13.515                 -8.975                 11.867
 Raman3 Fr= 1--       5.134                  4.844                  1.640
 ROA3   Fr= 1--    -137.417                -79.630                 41.778
 CID3   Fr= 1--     -26.765                -16.439                 25.476
 RC180  Fr= 1--       0.714                 -0.257                 -0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      3.9584                14.7994                 1.1885
  Dep-P Fr= 1--      0.0661                 0.0400                 0.6726
  Dep-U Fr= 1--      0.1240                 0.0769                 0.8042
 Alpha2 Fr= 1--      0.0752                 0.2994                 0.0016
 Beta2  Fr= 1--      0.0818                 0.1896                 0.1593
 AlphaG Fr= 1--      0.1220                 0.2278                -0.0145
 Gamma2 Fr= 1--      0.5547                 0.1912                 0.0859
 Delta2 Fr= 1--      0.4213                -0.1314                 0.0238
 Raman1 Fr= 1--      15.834                 59.198                  4.754
 ROA1   Fr= 1--      66.735                 14.150                  9.004
 CID1   Fr= 1--       4.215                  0.239                  1.894
 Raman2 Fr= 1--       0.981                  2.275                  1.912
 ROA2   Fr= 1--       9.942                  5.640                  1.870
 CID2   Fr= 1--      10.132                  2.479                  0.978
 Raman3 Fr= 1--       1.963                  4.550                  3.823
 ROA3   Fr= 1--      66.735                 14.150                  9.004
 CID3   Fr= 1--      34.003                  3.110                  2.355
 RC180  Fr= 1--      -0.752                 -0.846                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      2.3760                 3.4436                 0.6205
  Dep-P Fr= 1--      0.1590                 0.5378                 0.4038
  Dep-U Fr= 1--      0.2744                 0.6995                 0.5753
 Alpha2 Fr= 1--      0.0359                 0.0141                 0.0045
 Beta2  Fr= 1--      0.1087                 0.4014                 0.0595
 AlphaG Fr= 1--     -0.0778                 0.0417                 0.0421
 Gamma2 Fr= 1--      0.2527                -0.1403                 0.1312
 Delta2 Fr= 1--      0.3986                -1.0159                -0.6754
 Raman1 Fr= 1--       9.504                 13.774                  2.482
 ROA1   Fr= 1--      37.010                -45.981                 -9.019
 CID1   Fr= 1--       3.894                 -3.338                 -3.634
 Raman2 Fr= 1--       1.304                  4.817                  0.714
 ROA2   Fr= 1--       2.875                  4.760                  8.551
 CID2   Fr= 1--       2.205                  0.988                 11.977
 Raman3 Fr= 1--       2.608                  9.635                  1.428
 ROA3   Fr= 1--      37.010                -45.981                 -9.019
 CID3   Fr= 1--      14.193                 -4.772                 -6.317
 RC180  Fr= 1--      -0.451                  0.399                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      3.7738                 4.1186                 1.7538
  Dep-P Fr= 1--      0.3035                 0.6989                 0.2982
  Dep-U Fr= 1--      0.4657                 0.8228                 0.4594
 Alpha2 Fr= 1--      0.0383                 0.0037                 0.0181
 Beta2  Fr= 1--      0.2929                 0.5648                 0.1343
 AlphaG Fr= 1--     -0.1031                -0.0573                -0.0208
 Gamma2 Fr= 1--      0.4688                -0.5938                -0.2602
 Delta2 Fr= 1--      0.7281                -1.5233                 0.0719
 Raman1 Fr= 1--      15.095                 16.474                  7.015
 ROA1   Fr= 1--      68.305               -105.752                -22.681
 CID1   Fr= 1--       4.525                 -6.419                 -3.233
 Raman2 Fr= 1--       3.515                  6.777                  1.611
 ROA2   Fr= 1--       5.427                 -2.065                 -6.821
 CID2   Fr= 1--       1.544                 -0.305                 -4.234
 Raman3 Fr= 1--       7.030                 13.555                  3.222
 ROA3   Fr= 1--      68.305               -105.752                -22.681
 CID3   Fr= 1--       9.717                 -7.802                 -7.038
 RC180  Fr= 1--      -0.069                  0.646                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      2.5561                 1.0684                 2.5176
  Dep-P Fr= 1--      0.6471                 0.7469                 0.6630
  Dep-U Fr= 1--      0.7858                 0.8551                 0.7974
 Alpha2 Fr= 1--      0.0047                 0.0001                 0.0039
 Beta2  Fr= 1--      0.3347                 0.1523                 0.3346
 AlphaG Fr= 1--      0.0178                 0.0021                 0.0308
 Gamma2 Fr= 1--      0.5020                 0.0782                -0.4561
 Delta2 Fr= 1--     -0.1507                -0.0337                -1.2075
 Raman1 Fr= 1--      10.224                  4.274                 10.070
 ROA1   Fr= 1--      43.365                  6.432                -82.423
 CID1   Fr= 1--       4.241                  1.505                 -8.185
 Raman2 Fr= 1--       4.017                  1.827                  4.015
 ROA2   Fr= 1--      13.253                  2.147                 -1.286
 CID2   Fr= 1--       3.299                  1.175                 -0.320
 Raman3 Fr= 1--       8.034                  3.654                  8.029
 ROA3   Fr= 1--      43.365                  6.432                -82.423
 CID3   Fr= 1--       5.398                  1.760                -10.265
 RC180  Fr= 1--       0.572                  0.710                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.3449                 2.0146                 1.7512
  Dep-P Fr= 1--      0.5031                 0.6405                 0.7391
  Dep-U Fr= 1--      0.6694                 0.7808                 0.8500
 Alpha2 Fr= 1--      0.0065                 0.0040                 0.0003
 Beta2  Fr= 1--      0.1501                 0.2622                 0.2481
 AlphaG Fr= 1--      0.0008                 0.0187                -0.0057
 Gamma2 Fr= 1--      1.2628                 0.8554                -1.6880
 Delta2 Fr= 1--      0.5536                 0.2191                -0.2866
 Raman1 Fr= 1--       5.380                  8.059                  7.005
 ROA1   Fr= 1--     138.945                 89.130               -171.221
 CID1   Fr= 1--      25.827                 11.060                -24.443
 Raman2 Fr= 1--       1.801                  3.146                  2.977
 ROA2   Fr= 1--      25.879                 18.776                -38.219
 CID2   Fr= 1--      14.372                  5.968                -12.838
 Raman3 Fr= 1--       3.601                  6.292                  5.954
 ROA3   Fr= 1--     138.945                 89.130               -171.221
 CID3   Fr= 1--      38.581                 14.165                -28.758
 RC180  Fr= 1--       0.339                  0.562                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      3.6286                 1.8941                 1.1237
  Dep-P Fr= 1--      0.6605                 0.6962                 0.7023
  Dep-U Fr= 1--      0.7956                 0.8209                 0.8251
 Alpha2 Fr= 1--      0.0058                 0.0018                 0.0009
 Beta2  Fr= 1--      0.4811                 0.2591                 0.1545
 AlphaG Fr= 1--     -0.0282                 0.0111                -0.0035
 Gamma2 Fr= 1--      2.5710                 2.0127                -0.8461
 Delta2 Fr= 1--      0.5440                 1.6202                -0.5985
 Raman1 Fr= 1--      14.515                  7.576                  4.495
 ROA1   Fr= 1--     264.227                245.064               -100.380
 CID1   Fr= 1--      18.204                 32.346                -22.332
 Raman2 Fr= 1--       5.774                  3.110                  1.854
 ROA2   Fr= 1--      57.353                 35.342                -15.518
 CID2   Fr= 1--       9.934                 11.365                 -8.368
 Raman3 Fr= 1--      11.547                  6.220                  3.709
 ROA3   Fr= 1--     264.227                245.064               -100.380
 CID3   Fr= 1--      22.882                 39.402                -27.065
 RC180  Fr= 1--       0.591                  0.642                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      1.6689                 0.2764                 2.0874
  Dep-P Fr= 1--      0.6916                 0.6994                 0.7269
  Dep-U Fr= 1--      0.8177                 0.8231                 0.8419
 Alpha2 Fr= 1--      0.0017                 0.0002                 0.0008
 Beta2  Fr= 1--      0.2274                 0.0379                 0.2929
 AlphaG Fr= 1--     -0.0112                -0.0020                 0.0146
 Gamma2 Fr= 1--     -0.0355                 0.0492                 0.0465
 Delta2 Fr= 1--      0.0165                -0.1362                 0.4803
 Raman1 Fr= 1--       6.676                  1.106                  8.350
 ROA1   Fr= 1--      -2.875                  0.361                 19.831
 CID1   Fr= 1--      -0.431                  0.327                  2.375
 Raman2 Fr= 1--       2.729                  0.455                  3.515
 ROA2   Fr= 1--      -0.983                  2.270                 -2.726
 CID2   Fr= 1--      -0.360                  4.989                 -0.776
 Raman3 Fr= 1--       5.459                  0.910                  7.029
 ROA3   Fr= 1--      -2.875                  0.361                 19.831
 CID3   Fr= 1--      -0.527                  0.397                  2.821
 RC180  Fr= 1--       0.635                  0.646                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      8.5167                 4.7421                 5.1831
  Dep-P Fr= 1--      0.6379                 0.7372                 0.7255
  Dep-U Fr= 1--      0.7789                 0.8487                 0.8409
 Alpha2 Fr= 1--      0.0173                 0.0010                 0.0022
 Beta2  Fr= 1--      1.1056                 0.6708                 0.7264
 AlphaG Fr= 1--      0.0618                -0.0031                -0.0057
 Gamma2 Fr= 1--     -1.1360                 0.3044                -0.2912
 Delta2 Fr= 1--      0.9778                -0.0179                -1.3009
 Raman1 Fr= 1--      34.067                 18.968                 20.732
 ROA1   Fr= 1--     -77.769                 28.654                -69.587
 CID1   Fr= 1--      -2.283                  1.511                 -3.356
 Raman2 Fr= 1--      13.267                  8.050                  8.717
 ROA2   Fr= 1--     -35.087                  7.450                  3.417
 CID2   Fr= 1--      -2.645                  0.925                  0.392
 Raman3 Fr= 1--      26.534                 16.099                 17.434
 ROA3   Fr= 1--     -77.769                 28.654                -69.587
 CID3   Fr= 1--      -2.931                  1.780                 -3.991
 RC180  Fr= 1--       0.558                  0.697                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      1.8796                17.7382                35.1542
  Dep-P Fr= 1--      0.5623                 0.4947                 0.3516
  Dep-U Fr= 1--      0.7198                 0.6620                 0.5202
 Alpha2 Fr= 1--      0.0067                 0.0898                 0.3071
 Beta2  Fr= 1--      0.2255                 1.9570                 3.0481
 AlphaG Fr= 1--     -0.0034                 0.3755                 0.2267
 Gamma2 Fr= 1--     -0.2374                 3.5792                 0.5757
 Delta2 Fr= 1--      0.2083                 0.6037                 0.4536
 Raman1 Fr= 1--       7.519                 70.953                140.617
 ROA1   Fr= 1--     -16.127                362.924                 69.782
 CID1   Fr= 1--      -2.145                  5.115                  0.496
 Raman2 Fr= 1--       2.706                 23.484                 36.577
 ROA2   Fr= 1--      -7.365                 81.072                 10.188
 CID2   Fr= 1--      -2.722                  3.452                  0.279
 Raman3 Fr= 1--       5.412                 46.968                 73.155
 ROA3   Fr= 1--     -16.127                362.924                 69.782
 CID3   Fr= 1--      -2.980                  7.727                  0.954
 RC180  Fr= 1--       0.440                  0.324                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    176.5663               112.2624                85.7276
  Dep-P Fr= 1--      0.0327                 0.1499                 0.1115
  Dep-U Fr= 1--      0.0633                 0.2606                 0.2006
 Alpha2 Fr= 1--      3.6341                 1.7361                 1.4593
 Beta2  Fr= 1--      1.8618                 4.8768                 2.8655
 AlphaG Fr= 1--     -0.8843                -0.7257                -0.7761
 Gamma2 Fr= 1--      8.4088                -5.4311                -4.1869
 Delta2 Fr= 1--     -1.6450                 0.4380                -2.1266
 Raman1 Fr= 1--     706.265                449.050                342.910
 ROA1   Fr= 1--     754.603               -507.365               -469.993
 CID1   Fr= 1--       1.068                 -1.130                 -1.371
 Raman2 Fr= 1--      22.341                 58.521                 34.386
 ROA2   Fr= 1--     214.971               -133.850                -83.473
 CID2   Fr= 1--       9.622                 -2.287                 -2.428
 Raman3 Fr= 1--      44.682                117.043                 68.772
 ROA3   Fr= 1--     754.603               -507.365               -469.993
 CID3   Fr= 1--      16.888                 -4.335                 -6.834
 RC180  Fr= 1--      -0.873                 -0.479                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    217.4827                65.2681                51.7174
  Dep-P Fr= 1--      0.1455                 0.2683                 0.2081
  Dep-U Fr= 1--      0.2540                 0.4231                 0.3445
 Alpha2 Fr= 1--      3.4008                 0.7345                 0.6873
 Beta2  Fr= 1--      9.2070                 4.6021                 2.9695
 AlphaG Fr= 1--      0.6815                 0.3577                 0.4035
 Gamma2 Fr= 1--     10.7158                16.3693                -0.0750
 Delta2 Fr= 1--      6.4917                11.1316                 0.1512
 Raman1 Fr= 1--     869.931                261.072                206.870
 ROA1   Fr= 1--    1236.447               1927.665                 -2.365
 CID1   Fr= 1--       1.421                  7.384                 -0.011
 Raman2 Fr= 1--     110.484                 55.225                 35.635
 ROA2   Fr= 1--     205.245                303.811                 -3.010
 CID2   Fr= 1--       1.858                  5.501                 -0.084
 Raman3 Fr= 1--     220.967                110.450                 71.269
 ROA3   Fr= 1--    1236.447               1927.665                 -2.365
 CID3   Fr= 1--       5.596                 17.453                 -0.033
 RC180  Fr= 1--      -0.492                 -0.154                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     78.9696                84.1722               106.7652
  Dep-P Fr= 1--      0.5655                 0.4397                 0.4421
  Dep-U Fr= 1--      0.7224                 0.6108                 0.6131
 Alpha2 Fr= 1--      0.2758                 0.5376                 0.6754
 Beta2  Fr= 1--      9.5081                 8.5688                10.9104
 AlphaG Fr= 1--      0.5504                 0.5695                 0.7107
 Gamma2 Fr= 1--    -11.1804                 2.3490               -19.5782
 Delta2 Fr= 1--     -6.9940                 6.4388               -11.9629
 Raman1 Fr= 1--     315.879                336.689                427.061
 ROA1   Fr= 1--   -1297.133                431.548              -2262.318
 CID1   Fr= 1--      -4.106                  1.282                 -5.297
 Raman2 Fr= 1--     114.097                102.825                130.925
 ROA2   Fr= 1--    -212.378                  4.866               -374.174
 CID2   Fr= 1--      -1.861                  0.047                 -2.858
 Raman3 Fr= 1--     228.194                205.650                261.850
 ROA3   Fr= 1--   -1297.133                431.548              -2262.318
 CID3   Fr= 1--      -5.684                  2.098                 -8.640
 RC180  Fr= 1--       0.445                  0.222                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.815984D+02 -0.102112D+01 -0.161447D+01
      2  -0.102112D+01  0.745009D+02 -0.157668D+01
      3  -0.161447D+01 -0.157668D+01  0.658578D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.282952D+01  0.704210D-01 -0.204340D+01
      2  -0.911604D+01 -0.314397D+01 -0.186366D+02
      3   0.575724D+01  0.144359D+02  0.278721D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.206367D+02 -0.175143D+02 -0.252336D+02
      2   0.111131D+02  0.159574D+02  0.984379D+01
      3   0.952360D+01  0.155689D+01  0.153898D+02
      4  -0.901764D+01 -0.296857D+02 -0.847884D+01
      5  -0.220241D+02 -0.635232D+01 -0.400388D+02
      6  -0.677756D-01  0.202954D+01  0.556947D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.144402D+00 -0.203091D+01 -0.114674D+01 -0.181324D+01 -0.343123D+01
      2  -0.203091D+01 -0.492910D+01  0.431130D+00 -0.343123D+01 -0.514163D+00
      3  -0.114674D+01  0.431130D+00  0.384186D+00  0.301726D-01 -0.820680D+00
                 6             7             8             9            10 
      1   0.301726D-01 -0.104226D+01 -0.110958D+01  0.754115D+00 -0.578140D+01
      2  -0.820680D+00 -0.110958D+01 -0.283283D-01 -0.102182D+01  0.358107D+01
      3  -0.403263D+00  0.754115D+00 -0.102182D+01  0.496441D+01  0.114808D+01
                11            12            13            14            15 
      1   0.358107D+01  0.114808D+01  0.284670D+01  0.490408D+00 -0.664291D+00
      2   0.320654D+01 -0.188611D+01  0.490408D+00 -0.232981D+01  0.395710D+00
      3  -0.188611D+01  0.636625D+00 -0.664291D+00  0.395710D+00  0.361920D+00
                16            17            18            19            20 
      1   0.137852D+01 -0.778432D+00 -0.497064D+00  0.769082D+00 -0.252461D+01
      2  -0.778432D+00 -0.784609D+00  0.708886D+00 -0.252461D+01 -0.117834D+01
      3  -0.497064D+00  0.708886D+00 -0.140959D-01  0.110015D+01  0.946615D+00
                21            22            23            24            25 
      1   0.110015D+01 -0.158090D+01  0.221320D-01  0.187240D+00 -0.922243D+00
      2   0.946615D+00  0.221320D-01  0.651948D+01  0.111171D+01  0.304427D+00
      3  -0.249101D+01  0.187240D+00  0.111171D+01 -0.170255D+00 -0.156403D+01
                26            27            28            29            30 
      1   0.304427D+00 -0.156403D+01 -0.113938D+01  0.209454D+01 -0.206312D+01
      2   0.209124D+01  0.344941D+00  0.209454D+01 -0.269706D+01  0.883702D+00
      3   0.344941D+00 -0.530926D+01 -0.206312D+01  0.883702D+00  0.388752D+01
                31            32            33            34            35 
      1   0.175705D+01 -0.198569D+01  0.709621D+00 -0.184087D+01  0.571562D+00
      2  -0.198569D+01 -0.450583D+01 -0.762936D+00  0.571562D+00  0.460488D+00
      3   0.709621D+00 -0.762936D+00  0.167153D+01  0.448262D+01  0.180458D+01
                36            37            38            39            40 
      1   0.448262D+01  0.449533D+00 -0.158149D+01  0.229673D+01 -0.788547D+00
      2   0.180458D+01 -0.158149D+01  0.309734D+01 -0.969689D+00  0.331142D+01
      3  -0.571045D+00  0.229673D+01 -0.969689D+00 -0.117368D+01 -0.128823D+01
                41            42            43            44            45 
      1   0.331142D+01 -0.128823D+01  0.246735D+01 -0.188436D+01 -0.917839D+00
      2   0.189563D+01  0.163952D+00 -0.188436D+01 -0.837402D-01 -0.324884D+01
      3   0.163952D+00 -0.223551D+01 -0.917839D+00 -0.324884D+01 -0.466591D+01
                46            47            48            49            50 
      1   0.149213D+02 -0.345662D+01 -0.206429D+01 -0.301599D+01  0.371507D+01
      2  -0.345662D+01  0.159043D+01  0.776709D+00  0.371507D+01 -0.237328D+01
      3  -0.206429D+01  0.776709D+00  0.152480D+01  0.719693D+00 -0.104020D+01
                51            52            53            54            55 
      1   0.719693D+00 -0.204887D+01  0.667864D+00  0.382186D+01 -0.626501D+00
      2  -0.104020D+01  0.667864D+00 -0.461873D+00 -0.146080D+01  0.499904D+00
      3  -0.769815D+00  0.382186D+01 -0.146080D+01 -0.194781D+01 -0.929117D+00
                56            57            58            59            60 
      1   0.499904D+00 -0.929117D+00  0.121083D+00  0.240056D+00  0.106545D+00
      2   0.514226D+00 -0.651125D-01  0.240056D+00  0.882062D+00 -0.972562D+00
      3  -0.651125D-01 -0.353273D+00  0.106545D+00 -0.972562D+00  0.558592D+00
                61            62            63            64            65 
      1  -0.168845D+01  0.234575D+00 -0.721295D-01  0.415879D+01  0.313275D+01
      2   0.234575D+00 -0.226165D+01  0.212669D+01  0.313275D+01  0.434009D+01
      3  -0.721295D-01  0.212669D+01 -0.785340D+01  0.274119D+00 -0.104199D-01
                66            67            68            69            70 
      1   0.274119D+00  0.268754D+01  0.286868D+01  0.851002D-01  0.106821D+01
      2  -0.104199D-01  0.286868D+01  0.587552D+01  0.478708D+00  0.843120D+00
      3   0.702784D+00  0.851002D-01  0.478708D+00  0.986859D+00  0.494372D+00
                71            72            73            74            75 
      1   0.843120D+00  0.494372D+00  0.848649D+00  0.433857D-01  0.132177D+01
      2   0.124493D+01  0.123286D+01  0.433857D-01  0.643795D+00 -0.735534D+00
      3   0.123286D+01 -0.157010D-02  0.132177D+01 -0.735534D+00  0.202211D+01
                76            77            78            79            80 
      1   0.447264D+00  0.901055D-01 -0.115204D+00  0.228804D+01 -0.292624D+00
      2   0.901055D-01 -0.999801D+00  0.110640D+01 -0.292624D+00  0.155995D+01
      3  -0.115204D+00  0.110640D+01 -0.290214D+00  0.136070D+01 -0.174613D+01
                81            82            83            84            85 
      1   0.136070D+01 -0.124791D+00 -0.966105D+00 -0.424676D+00 -0.169010D+01
      2  -0.174613D+01 -0.966105D+00  0.411167D+00 -0.218404D+00 -0.487165D-01
      3   0.908377D+01 -0.424676D+00 -0.218404D+00  0.251716D+00 -0.865389D-01
                86            87            88            89            90 
      1  -0.487165D-01 -0.865389D-01 -0.583957D+00  0.126635D+00  0.411235D-01
      2  -0.909195D+01 -0.292036D+00  0.126635D+00 -0.241330D+01 -0.121802D+01
      3  -0.292036D+00 -0.133354D+01  0.411235D-01 -0.121802D+01  0.185701D+00
                91            92            93            94            95 
      1  -0.477112D+01 -0.948290D+00  0.274483D+01 -0.719599D+00 -0.769455D+00
      2  -0.948290D+00 -0.776665D+00  0.181688D+00 -0.769455D+00 -0.105142D+00
      3   0.274483D+01  0.181688D+00 -0.338392D+01  0.150470D+00  0.102098D+01
                96            97            98            99           100 
      1   0.150470D+00  0.321668D+01  0.382933D+00 -0.340303D+01  0.332356D+01
      2   0.102098D+01  0.382933D+00  0.106188D+01 -0.786109D+00 -0.247915D+01
      3  -0.775762D+00 -0.340303D+01 -0.786109D+00  0.523233D+01  0.177323D+01
               101           102           103           104           105 
      1  -0.247915D+01  0.177323D+01 -0.305082D+01  0.383302D+01 -0.113211D+01
      2   0.283790D+01 -0.988476D+00  0.383302D+01  0.562603D+01  0.550602D+00
      3  -0.988476D+00 -0.328941D+01 -0.113211D+01  0.550602D+00 -0.135437D+01
               106           107           108           109           110 
      1   0.143848D+01 -0.107283D+01 -0.374600D+01  0.477376D+00  0.750973D+00
      2  -0.107283D+01 -0.537546D+00 -0.140409D+01  0.750973D+00  0.705449D-01
      3  -0.374600D+01 -0.140409D+01  0.131418D+01  0.748757D+00  0.366393D+00
               111           112           113           114           115 
      1   0.748757D+00  0.703914D+00 -0.290643D+00  0.509453D-01  0.124894D+01
      2   0.366393D+00 -0.290643D+00  0.221096D+01  0.206337D+01  0.369078D+00
      3   0.716142D+00  0.509453D-01  0.206337D+01  0.226544D+01  0.322649D-01
               116           117           118           119           120 
      1   0.369078D+00  0.322649D-01 -0.450260D+01  0.286736D+01 -0.113526D+01
      2   0.306111D+01  0.346043D+01  0.286736D+01 -0.358257D+01  0.619913D+00
      3   0.346043D+01  0.727048D+01 -0.113526D+01  0.619913D+00 -0.961224D+00
               121           122           123           124           125 
      1   0.240330D+01 -0.271549D+01  0.545033D+00 -0.187248D+01  0.116903D+01
      2  -0.271549D+01  0.419141D+01 -0.773376D+00  0.116903D+01 -0.185509D+01
      3   0.545033D+00 -0.773376D+00  0.123290D+01 -0.992194D+00  0.153798D+01
               126           127           128           129           130 
      1  -0.992194D+00  0.195943D+01  0.537299D+00 -0.123900D+01  0.598567D+00
      2   0.153798D+01  0.537299D+00  0.596079D+00  0.313136D+00  0.103635D-02
      3  -0.645316D+00 -0.123900D+01  0.313136D+00  0.294204D+01  0.119228D+00
               131           132           133           134           135 
      1   0.103635D-02  0.119228D+00 -0.198547D+01 -0.809697D-01  0.128815D+01
      2  -0.451669D+00 -0.762170D+00 -0.809697D-01 -0.110873D+01 -0.110210D+00
      3  -0.762170D+00  0.422915D+00  0.128815D+01 -0.110210D+00 -0.584517D+01
               136           137           138           139           140 
      1  -0.772199D+01  0.196353D+01 -0.200663D+01  0.367405D+01 -0.210938D+01
      2   0.196353D+01 -0.208023D+01  0.438385D+00 -0.210938D+01  0.138804D+01
      3  -0.200663D+01  0.438385D+00 -0.135240D+01  0.113778D+01 -0.525716D+00
               141           142           143           144           145 
      1   0.113778D+01 -0.123131D+01  0.478457D+00 -0.100716D+01 -0.209553D+01
      2  -0.525716D+00  0.478457D+00 -0.159968D+00  0.584026D+00 -0.148364D+01
      3   0.129393D+01 -0.100716D+01  0.584026D+00 -0.992188D+00 -0.398830D+00
               146           147           148           149           150 
      1  -0.148364D+01 -0.398830D+00 -0.258029D+01 -0.322132D+01 -0.555445D+00
      2  -0.206416D+01 -0.839234D-01 -0.322132D+01 -0.821749D+01 -0.941770D+00
      3  -0.839234D-01 -0.630023D-01 -0.555445D+00 -0.941770D+00 -0.146135D+01
               151           152           153 
      1   0.109704D+00  0.711153D-01 -0.757691D-01
      2   0.711153D-01  0.215233D+00 -0.804369D+00
      3  -0.757691D-01 -0.804369D+00 -0.205110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.490150D+01  0.429972D+01 -0.133439D+01  0.183868D+01  0.264813D+01
      2  -0.108944D+01 -0.144102D+01  0.124745D+01 -0.176750D+01 -0.289560D+01
      3   0.424434D+01  0.284382D+00 -0.433601D+01  0.631594D+01 -0.373174D+01
                 6             7             8             9            10 
      1  -0.465255D+01 -0.459049D+01  0.493905D+01 -0.690061D+01 -0.269417D+01
      2  -0.111402D+01 -0.298789D+01 -0.264747D+01  0.758971D+01 -0.377135D+01
      3  -0.340457D+00 -0.333377D+01 -0.336890D+01  0.401097D+01  0.187261D+01
                11            12            13            14            15 
      1   0.835347D+01 -0.330709D+01  0.552808D+01  0.536482D+01  0.973341D+00
      2  -0.692813D+01 -0.486800D+01 -0.388046D+01 -0.219204D+00  0.182139D+01
      3  -0.271956D+01  0.359498D+01  0.154221D+01 -0.183630D+01 -0.193253D+01
                16            17            18            19            20 
      1   0.239041D+01  0.176334D+02 -0.709094D+01 -0.655236D+00 -0.536692D+00
      2  -0.119656D+02 -0.203834D+01  0.665307D+01 -0.368669D+01  0.419231D+01
      3   0.232842D+01 -0.538021D+01  0.301064D+00 -0.396785D+00  0.294628D+01
                21            22            23            24            25 
      1  -0.520385D+01  0.116767D+01  0.856516D+01 -0.279727D+01 -0.529900D+00
      2   0.147400D+01  0.342859D+01 -0.750473D+00  0.271242D+01 -0.479194D+01
      3  -0.196886D+01  0.778517D+01 -0.597055D+01  0.114012D+01 -0.130700D+01
                26            27            28            29            30 
      1   0.510617D+01 -0.741917D+01  0.129840D+01 -0.194290D+01  0.775835D+00
      2   0.121285D+01 -0.221882D+01  0.790520D+01 -0.170705D+01 -0.130944D+01
      3   0.100256D+01  0.141827D+01  0.455888D+01 -0.848336D+01  0.154929D+01
                31            32            33            34            35 
      1  -0.278588D+01 -0.298865D+01 -0.299847D+01 -0.251859D+00  0.459220D+01
      2  -0.324774D+01  0.110362D+01 -0.210263D+01 -0.846521D+01 -0.381561D+01
      3  -0.241731D+01 -0.628282D+01  0.496335D-01  0.910048D+00  0.667942D-02
                36            37            38            39            40 
      1   0.439766D+00 -0.387212D+01  0.533799D+01  0.189457D+01  0.540940D+01
      2   0.149744D+00 -0.625131D+01  0.326995D+01  0.175601D+01  0.243736D+01
      3   0.112954D+01 -0.480254D+01 -0.142669D+01  0.304576D+01  0.465138D+01
                41            42            43            44            45 
      1   0.254393D+01  0.191424D+01  0.145280D+01  0.911036D+01  0.463030D+01
      2  -0.231379D+01  0.251349D+01 -0.412927D+01  0.457245D+01  0.404150D+01
      3   0.794674D+01 -0.160356D+01  0.334203D+01 -0.342413D+01 -0.364343D+01
                46            47            48            49            50 
      1   0.104661D+01 -0.515189D+01  0.397258D+01 -0.148064D+01  0.593188D-01
      2  -0.983789D+00  0.121822D+01  0.121024D+02  0.131691D+01 -0.113226D+01
      3  -0.183349D+01 -0.125454D+02  0.313270D+00 -0.122737D+01  0.625808D+01
                51            52            53            54            55 
      1  -0.281673D+01 -0.596104D+00 -0.337606D+01  0.151108D+01  0.151277D+00
      2  -0.362260D+01  0.411528D+01  0.234809D+00 -0.590743D+01 -0.185484D+01
      3   0.799019D+00  0.146949D+01  0.418617D+01  0.281693D+00 -0.177623D+01
                56            57            58            59            60 
      1   0.104359D+01  0.707743D+00  0.148153D+01 -0.114774D+00 -0.554500D+00
      2   0.160656D+00  0.436151D-01 -0.189238D+00 -0.463179D+00 -0.458297D-01
      3  -0.114211D+01 -0.590303D+00  0.493764D+00  0.853437D+00  0.237228D+00
                61            62            63            64            65 
      1   0.823360D+00 -0.220366D+01  0.139971D+02 -0.164312D+01 -0.549789D+01
      2  -0.350166D+01  0.280439D+01 -0.918296D+01  0.208962D+01  0.231010D+01
      3  -0.280928D+01  0.293196D+01 -0.219504D+01  0.398414D+01 -0.522552D+00
                66            67            68            69            70 
      1  -0.167914D+01 -0.244162D+01 -0.406330D+01 -0.290594D+01 -0.131359D+01
      2   0.239485D+01  0.188314D+01  0.308883D+01  0.158009D+01  0.162508D+00
      3   0.629661D+00  0.451890D+01 -0.238087D+00 -0.422361D+00  0.165129D+01
                71            72            73            74            75 
      1  -0.185144D+01 -0.709016D+00 -0.190984D+00 -0.115795D+01  0.448298D+01
      2   0.169934D+01  0.253289D+00  0.771214D+00 -0.412899D-02 -0.540361D+00
      3  -0.209239D+00 -0.203547D+00 -0.302141D+00 -0.172746D+01 -0.146893D+01
                76            77            78            79            80 
      1  -0.133038D+01  0.179228D+00  0.326007D+00  0.116792D+01 -0.389268D-01
      2  -0.673708D+00  0.100314D+00 -0.396963D-01 -0.407188D+01  0.455880D+00
      3   0.465785D+00  0.151235D+00 -0.500862D-01 -0.264841D+01  0.220645D+00
                81            82            83            84            85 
      1   0.116142D+02  0.101346D+00  0.239719D+00 -0.462947D+00 -0.137952D+01
      2   0.820598D+00 -0.939906D+00 -0.694845D-01  0.162746D+01  0.137837D+01
      3  -0.223465D+01  0.472014D+00 -0.125267D+01  0.897696D+00  0.550279D+01
                86            87            88            89            90 
      1  -0.110418D+02 -0.390122D+01 -0.536577D+00 -0.311349D+01 -0.155612D+01
      2   0.161129D+00 -0.621524D+00 -0.236565D+00  0.436871D-01 -0.301907D+00
      3   0.269502D+01  0.417149D-02  0.203786D+01  0.112432D+01  0.216942D+00
                91            92            93            94            95 
      1  -0.485756D+00 -0.168198D+01 -0.707888D+00 -0.329584D+00  0.884218D-01
      2   0.524006D+00  0.371905D+00  0.437099D+01  0.517479D+00 -0.877978D+00
      3   0.200381D+00 -0.270268D+01 -0.639630D+00  0.605255D+00 -0.605835D-01
                96            97            98            99           100 
      1  -0.322061D+00  0.188695D+00  0.283491D+01  0.787122D-01  0.469077D+01
      2   0.135945D+01 -0.989852D-01  0.860938D+00 -0.543937D+01  0.146320D+00
      3   0.138535D+01 -0.929884D+00  0.288228D+01 -0.223328D+00 -0.888086D+01
               101           102           103           104           105 
      1  -0.447416D+01 -0.238030D+01 -0.660183D+01 -0.664310D+01 -0.448453D+01
      2   0.708200D-01  0.134726D+02  0.139760D+00  0.284299D+01  0.197899D+01
      3   0.682038D+01 -0.395671D+01  0.133853D+02  0.995952D+01  0.191323D+01
               106           107           108           109           110 
      1  -0.159073D+01  0.285675D+00  0.346856D+01  0.182889D+00 -0.634357D+00
      2   0.772203D+01  0.203843D+01 -0.718093D+01 -0.901342D+00 -0.983020D+00
      3  -0.374153D+01  0.341105D+00 -0.374399D+00  0.183675D+01  0.171736D+00
               111           112           113           114           115 
      1  -0.858120D+00 -0.327618D+00 -0.117369D+01 -0.356425D+01  0.342259D-01
      2   0.353810D-01 -0.135447D+01 -0.139133D+01 -0.192348D+01 -0.320296D+01
      3   0.121750D+01  0.209547D+01  0.685802D+00  0.198741D+01  0.303698D+01
               116           117           118           119           120 
      1  -0.310581D+00 -0.981665D+01  0.268827D+01 -0.198363D+01  0.273930D+01
      2  -0.283731D+01 -0.590921D+01  0.308266D+01 -0.221904D+01  0.322326D+01
      3   0.299849D+01  0.238154D+01 -0.559920D+01 -0.131029D+01 -0.118680D+01
               121           122           123           124           125 
      1  -0.223192D+01  0.275949D+01 -0.382704D+01  0.165937D+01 -0.160928D+01
      2  -0.143473D+01  0.213095D+01 -0.232993D+01  0.823432D+00 -0.226418D+01
      3   0.361139D+01 -0.833435D-01  0.715876D-01 -0.310637D+01 -0.101349D+01
               126           127           128           129           130 
      1   0.224360D+01 -0.231172D+01 -0.188520D+01  0.250890D+01 -0.470218D+00
      2   0.179563D+01  0.698828D+01  0.746833D+00 -0.664863D+01  0.119175D+01
      3   0.930536D-01 -0.916880D+00 -0.313363D+00  0.133579D+01  0.553263D+00
               131           132           133           134           135 
      1  -0.564946D+00  0.232435D+00  0.199108D+01  0.336068D+01 -0.469935D+01
      2   0.175513D+01 -0.762321D+00 -0.848011D+01 -0.356157D+00  0.134107D+02
      3  -0.589371D+00 -0.132528D+01  0.127944D+01 -0.143894D+01 -0.125929D+01
               136           137           138           139           140 
      1  -0.389955D+01  0.334960D+01 -0.741157D+00  0.260709D+01 -0.223675D+01
      2  -0.254766D+01  0.102049D+01  0.375604D+01  0.128156D+01 -0.659151D+00
      3   0.872590D+01 -0.872552D+01  0.232297D+01 -0.538356D+01  0.565252D+01
               141           142           143           144           145 
      1   0.415924D-01 -0.115366D+01  0.164000D+01 -0.123790D+01  0.691596D+00
      2  -0.307062D+01 -0.743276D+00 -0.971052D+00  0.182083D+01 -0.288646D+00
      3  -0.150419D+01  0.214285D+01 -0.110273D+01  0.216751D+01 -0.876421D+00
               146           147           148           149           150 
      1   0.232256D+01 -0.407027D+00  0.215444D+01  0.740711D+01 -0.359085D+01
      2  -0.797980D+00  0.790143D+00 -0.102706D+01 -0.479985D+00  0.366682D+01
      3  -0.460138D+01  0.290969D-01 -0.169927D+01 -0.159200D+02 -0.121677D+01
               151           152           153 
      1   0.344563D+00  0.251208D+00  0.657718D+00
      2  -0.946980D+00  0.151773D+01  0.413067D+00
      3  -0.322157D+00  0.243422D+00 -0.186690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.553667D-01  0.253698D+01  0.475731D+00 -0.370629D+01 -0.517260D+01
      2  -0.468993D+01 -0.158549D+02  0.573821D+00 -0.670951D+01  0.143751D+01
      3   0.474529D+01  0.133179D+02 -0.104955D+01  0.104158D+02  0.373509D+01
      4  -0.667511D+01 -0.141349D+02 -0.308871D+01 -0.602402D+01 -0.154284D+02
      5   0.168570D-01 -0.217551D+01  0.445651D+00 -0.156878D+01 -0.124721D+01
      6  -0.362388D+01 -0.335312D+00  0.293471D+01 -0.194873D+01 -0.403699D+01
                 6             7             8             9            10 
      1   0.232472D+01  0.509389D+01 -0.437164D+01  0.104749D+02 -0.392591D+02
      2  -0.356810D+01 -0.312920D+01 -0.569337D+01  0.365836D+01  0.198966D+02
      3   0.124338D+01 -0.196469D+01  0.100650D+02 -0.141333D+02  0.193625D+02
      4  -0.116268D+01 -0.723078D+01  0.601496D-01 -0.340065D+01  0.168119D+02
      5  -0.165006D+01 -0.387682D+00 -0.103617D+01  0.428772D+01  0.945115D+01
      6   0.389362D+01  0.351218D+01 -0.380286D+01  0.152165D+02 -0.443070D+01
                11            12            13            14            15 
      1   0.625709D+01  0.176286D+01  0.145505D+02  0.282920D+00 -0.505205D+01
      2   0.291906D+01 -0.592837D+01 -0.934575D+01 -0.263023D+01  0.155638D+01
      3  -0.917615D+01  0.416551D+01 -0.520471D+01  0.234731D+01  0.349567D+01
      4  -0.115239D+02 -0.186241D+01 -0.264921D+01  0.281512D+01  0.965977D+00
      5  -0.936855D+00 -0.970750D+01 -0.230063D+01  0.185929D+01  0.459371D+01
      6   0.663035D+01  0.297987D+01  0.227851D+01  0.831639D+00 -0.423465D+01
                16            17            18            19            20 
      1   0.100083D+02 -0.403861D+01 -0.713664D+01 -0.159445D+01 -0.325570D+01
      2  -0.483249D+01  0.258652D+01 -0.850260D+00  0.338380D+01  0.184988D+01
      3  -0.517586D+01  0.145209D+01  0.798690D+01 -0.178935D+01  0.140582D+01
      4  -0.159499D+01  0.573182D+01  0.309068D+01  0.441559D+00  0.262236D+01
      5   0.141523D+01  0.113117D+01  0.728101D+01 -0.459243D+01 -0.112486D+01
      6   0.182715D+01  0.616419D+00  0.519578D+00 -0.350023D+01 -0.303155D+01
                21            22            23            24            25 
      1   0.591076D+01  0.442701D+01  0.726544D+01  0.283928D+01 -0.312575D+00
      2   0.338822D+01 -0.383772D+01 -0.190862D+02 -0.258588D+01  0.188260D+01
      3  -0.929898D+01 -0.589287D+00  0.118207D+02 -0.253396D+00 -0.157003D+01
      4  -0.615278D+00 -0.819564D-01  0.335423D+01 -0.485200D+00 -0.116352D+01
      5   0.776793D+00 -0.128327D+01 -0.320291D+00  0.383938D+01  0.302430D+01
      6   0.574066D+01  0.689755D+00 -0.348194D+01  0.365700D+01  0.111890D+01
                26            27            28            29            30 
      1   0.115575D+01  0.179078D+02  0.405798D+00 -0.356136D+01  0.584634D+01
      2  -0.812891D+01  0.452438D+01  0.323634D+01  0.122799D+01 -0.490914D+01
      3   0.697315D+01 -0.224322D+02 -0.364214D+01  0.233337D+01 -0.937197D+00
      4  -0.217269D+01  0.314075D+01 -0.393916D+01  0.213792D+01 -0.148238D+01
      5   0.265346D+01 -0.103805D+02  0.125483D+02  0.111692D+01 -0.172324D+02
      6   0.758107D+00  0.108792D+02  0.236778D+01 -0.149549D+01 -0.451689D+01
                31            32            33            34            35 
      1  -0.700229D+01  0.628182D+01 -0.322636D+01  0.118227D+01 -0.351756D+01
      2   0.493816D+01 -0.312392D+01  0.214494D+01 -0.474924D+01  0.653917D+00
      3   0.206414D+01 -0.315790D+01  0.108142D+01  0.356697D+01  0.286364D+01
      4   0.455714D+01  0.678942D+01  0.570571D+00 -0.489866D+01 -0.264479D+01
      5  -0.801155D+00  0.953881D+00 -0.552319D+01 -0.203762D+02 -0.687428D+01
      6   0.793192D+00 -0.903618D+00 -0.158290D+01 -0.477796D+01 -0.304061D+00
                36            37            38            39            40 
      1  -0.153189D+02 -0.278217D+01  0.161336D+01 -0.388960D+00  0.329463D+01
      2   0.126324D+02 -0.419269D+01  0.920528D+01 -0.137859D+01  0.691059D+01
      3   0.268647D+01  0.697486D+01 -0.108186D+02  0.176755D+01 -0.102052D+02
      4  -0.836836D+01  0.468709D+01 -0.124230D+02  0.764845D+01 -0.103643D+02
      5   0.101612D+02 -0.640587D+01  0.332031D+01  0.159044D+01  0.864369D+00
      6   0.157863D+01  0.512799D+01 -0.429726D+01 -0.309784D+01 -0.369693D+01
                41            42            43            44            45 
      1  -0.530060D+01  0.570152D+01 -0.986903D+00  0.928209D+01  0.139494D+02
      2   0.680837D+01  0.208076D+01 -0.208309D+01  0.277341D+01 -0.527241D+01
      3  -0.150777D+01 -0.778228D+01  0.306999D+01 -0.120555D+02 -0.867694D+01
      4   0.684126D+01 -0.289532D+01  0.120278D+02 -0.248461D+01  0.651034D+01
      5  -0.244143D+01  0.171797D+01  0.282249D+01  0.408616D+01  0.223946D+01
      6   0.162751D+01 -0.909512D+01 -0.754297D+00 -0.111073D+02 -0.189131D+02
                46            47            48            49            50 
      1   0.841330D+02 -0.126247D+02 -0.687255D+01 -0.131453D+02  0.956996D+01
      2  -0.440737D+02  0.285121D+01  0.626930D+01  0.411935D+01  0.692875D+00
      3  -0.400593D+02  0.977352D+01  0.603254D+00  0.902594D+01 -0.102628D+02
      4  -0.250945D+02  0.228611D+02  0.352631D+01  0.240016D+02 -0.156847D+02
      5  -0.118101D+02  0.220512D+01  0.202852D+02  0.421849D+01 -0.404638D+01
      6   0.749514D+01 -0.417116D+01 -0.500971D+01 -0.454424D+01  0.388598D+01
                51            52            53            54            55 
      1   0.201526D+01 -0.712198D+01  0.212362D+01  0.109847D+02 -0.210049D+01
      2  -0.124364D+01  0.630459D+01 -0.917196D-01 -0.109304D+02 -0.736924D+00
      3  -0.771615D+00  0.817389D+00 -0.203191D+01 -0.542408D-01  0.283741D+01
      4  -0.508909D+01  0.526475D+01 -0.548586D+01 -0.739516D+01  0.325055D+00
      5  -0.622362D+01  0.233158D+02 -0.674934D+01 -0.122094D+02 -0.319108D+00
      6   0.704883D+01 -0.595830D+01  0.779924D+01  0.361900D+01 -0.246492D+01
                56            57            58            59            60 
      1   0.746445D+00 -0.149665D+01 -0.191017D+00 -0.460699D+01  0.308515D+01
      2   0.553020D+00  0.450770D+00  0.854036D+00  0.381672D+01 -0.366859D+01
      3  -0.129947D+01  0.104588D+01 -0.663019D+00  0.790266D+00  0.583437D+00
      4   0.465075D+01 -0.222531D+01  0.216413D+01  0.255875D+01 -0.885040D+00
      5  -0.108579D+01  0.479882D+01  0.507498D+00 -0.368015D+00 -0.303172D+00
      6  -0.226451D+00 -0.175996D+01 -0.177162D+00 -0.422583D+01  0.641446D+01
                61            62            63            64            65 
      1  -0.332596D+01  0.908338D+01 -0.191928D+02  0.815715D+01 -0.375516D+00
      2   0.152127D+01 -0.338330D+01 -0.829033D+01  0.423495D+01  0.127447D+02
      3   0.180469D+01 -0.570008D+01  0.274832D+02 -0.123921D+02 -0.123692D+02
      4  -0.292876D+01 -0.323523D+01  0.470691D+01  0.202888D+02  0.231592D+02
      5   0.502494D+01  0.215170D+01 -0.779650D+01  0.982138D+00  0.575615D+00
      6  -0.105404D+00  0.120232D+02 -0.236050D+02  0.984297D+00  0.289035D+00
                66            67            68            69            70 
      1   0.404475D+00 -0.265409D+00 -0.900559D+01  0.202381D+00  0.785219D+00
      2   0.161441D+00  0.999368D+01  0.253967D+02  0.152571D+01  0.868994D+00
      3  -0.565916D+00 -0.972827D+01 -0.163911D+02 -0.172809D+01 -0.165421D+01
      4   0.909275D+00  0.164857D+02  0.232591D+02  0.149020D+01  0.482696D+01
      5   0.411635D+01  0.741342D+00  0.223896D+01  0.232914D+01  0.340669D+01
      6   0.320038D+01  0.322176D+00  0.107585D+01  0.532844D+01  0.302609D+01
                71            72            73            74            75 
      1  -0.422150D+00 -0.295695D+01  0.498047D+00  0.237190D+01 -0.400867D+01
      2   0.491841D+01  0.244623D+01 -0.401861D+01 -0.599838D+00 -0.310714D+01
      3  -0.449626D+01  0.510720D+00  0.352056D+01 -0.177206D+01  0.711580D+01
      4   0.457702D+01  0.515785D+01 -0.164964D+01  0.331552D+01 -0.375409D+01
      5   0.398150D+01  0.158852D+01  0.515117D+01 -0.231509D+01  0.939419D+01
      6   0.712880D+01  0.603457D+00 -0.252219D+01  0.310286D+01 -0.522068D+01
                76            77            78            79            80 
      1   0.262551D+00 -0.613360D+01  0.218205D+01 -0.139099D+01  0.672932D+01
      2   0.577729D+00  0.382214D+01 -0.330534D+01 -0.247150D+01 -0.909958D+00
      3  -0.840280D+00  0.231146D+01  0.112329D+01  0.386250D+01 -0.581936D+01
      4   0.123381D+01 -0.457601D+00  0.130173D+01 -0.403778D+01  0.207790D+01
      5   0.235911D+00  0.152432D+01 -0.209220D+00  0.672601D+01 -0.219155D+01
      6   0.132383D+01 -0.352929D+01  0.663279D+01 -0.266233D+01  0.101654D+02
                81            82            83            84            85 
      1  -0.258489D+02  0.162378D+00  0.429127D+00 -0.107813D+01 -0.124540D+01
      2  -0.135275D+02  0.295568D+01 -0.113417D+01  0.565127D+00  0.123642D+01
      3   0.393764D+02 -0.311805D+01  0.705040D+00  0.513007D+00  0.898371D-02
      4  -0.314259D+01 -0.297781D+00  0.818537D+01  0.471906D+00  0.679635D+01
      5   0.114678D+02 -0.529836D+00 -0.113749D+01  0.191713D+01 -0.450503D+00
      6  -0.199477D+02  0.708072D+00  0.495098D+00 -0.262554D+00  0.407398D+00
                86            87            88            89            90 
      1  -0.239277D+02  0.770284D+00 -0.364605D+00 -0.359141D+01 -0.540087D+01
      2   0.424493D+02  0.176573D+01  0.133194D+00  0.855107D+01  0.341181D+01
      3  -0.185216D+02 -0.253602D+01  0.231411D+00 -0.495966D+01  0.198906D+01
      4  -0.168306D+01  0.118360D-01  0.240533D+01 -0.133995D+01 -0.244313D+00
      5   0.194465D+00 -0.577178D+00  0.846959D+00 -0.190119D+00  0.767596D+00
      6  -0.387952D+01  0.653153D+01  0.178670D+00  0.607831D+01  0.732441D+00
                91            92            93            94            95 
      1   0.168967D+02  0.223203D+01 -0.768378D+01  0.232605D+01  0.159057D+00
      2  -0.146437D+02 -0.182760D+01  0.959914D+01 -0.144503D+01 -0.207597D-01
      3  -0.225301D+01 -0.404429D+00 -0.191536D+01 -0.881023D+00 -0.138297D+00
      4   0.501409D+01  0.518168D+01 -0.198425D+01  0.551776D+01  0.138879D+01
      5  -0.199810D+02 -0.218154D+01  0.199991D+02 -0.202696D+01 -0.533053D+01
      6  -0.272108D+01 -0.253780D+01  0.336534D+01 -0.282341D+01 -0.200708D+01
                96            97            98            99           100 
      1  -0.116734D-01 -0.695296D+01 -0.544067D-01  0.185937D+01 -0.176638D+02
      2   0.138170D+00  0.113855D+02  0.112610D+01 -0.154061D+02  0.113078D+02
      3  -0.126497D+00 -0.443258D+01 -0.107169D+01  0.135467D+02  0.635597D+01
      4  -0.402640D+01 -0.242508D+01 -0.357318D+01  0.298641D+01  0.111576D+02
      5   0.318133D+01  0.207275D+02  0.341577D+01 -0.258849D+02 -0.107878D+02
      6   0.559638D+01  0.288139D+01  0.498263D+01 -0.505879D+01  0.336605D+01
               101           102           103           104           105 
      1   0.152836D+02 -0.158545D+02  0.201125D+02 -0.104386D+02  0.441616D+01
      2  -0.139151D+02 -0.119957D+00 -0.184859D+02 -0.907594D+01 -0.554190D+01
      3  -0.136856D+01  0.159744D+02 -0.162657D+01  0.195146D+02  0.112574D+01
      4  -0.106696D+02  0.269692D+01 -0.159929D+02 -0.255276D+02 -0.170904D+01
      5   0.683128D+01  0.813423D+01  0.864648D+01 -0.395228D+01  0.558724D+01
      6  -0.353980D+01  0.602489D+01 -0.458451D+01 -0.522398D+01  0.260238D+01
               106           107           108           109           110 
      1  -0.127002D+02  0.392289D+01  0.180191D+02 -0.126435D+01 -0.272024D+01
      2   0.544685D+00 -0.374153D+01 -0.475207D+01  0.256758D+00  0.108639D+01
      3   0.121555D+02 -0.181354D+00 -0.132670D+02  0.100759D+01  0.163385D+01
      4   0.408988D+01  0.185689D+01  0.103401D+02 -0.328342D+00  0.469265D+01
      5   0.976071D+01  0.630784D+01  0.267012D+01  0.516900D+00  0.177735D+01
      6   0.656022D+01  0.180860D+01  0.384543D+00  0.339026D+01  0.237951D+01
               111           112           113           114           115 
      1  -0.259270D+01 -0.698554D+00 -0.924109D+01 -0.863194D+01 -0.206157D+01
      2   0.117057D+01 -0.556295D+00  0.845211D+01  0.555404D+01  0.123167D+01
      3   0.142214D+01  0.125485D+01  0.788984D+00  0.307790D+01  0.829894D+00
      4   0.247755D+01  0.435478D+01 -0.338716D+01 -0.205379D+01  0.357224D+01
      5   0.475993D+01  0.123309D+01 -0.171836D+01 -0.189528D+01  0.467773D+01
      6   0.321630D+01  0.493402D+00  0.118633D+02  0.140445D+02 -0.517573D+00
               116           117           118           119           120 
      1  -0.126795D+02 -0.207288D+02  0.103871D+02 -0.111245D+01  0.184897D+01
      2   0.676047D+01 -0.160260D+01  0.279957D+01 -0.994289D+01  0.791970D+00
      3   0.591900D+01  0.223314D+02 -0.131867D+02  0.110553D+02 -0.264094D+01
      4  -0.444929D+01 -0.519222D+01 -0.206485D+02  0.194122D+02 -0.485831D+01
      5  -0.391533D+01 -0.707428D+01  0.349768D+01 -0.182933D+01  0.453113D+01
      6   0.183300D+02  0.286808D+02 -0.325494D+01  0.177047D+01 -0.382544D+01
               121           122           123           124           125 
      1  -0.139596D+01 -0.420425D+01  0.276731D-01  0.216212D+01  0.913889D+00
      2  -0.829318D+01  0.171453D+02 -0.344247D+01  0.148761D+01 -0.669795D+01
      3   0.968914D+01 -0.129411D+02  0.341480D+01 -0.364973D+01  0.578407D+01
      4   0.162410D+02 -0.188636D+02  0.381493D+01 -0.847879D+01  0.801686D+01
      5  -0.155780D+01  0.218502D+01 -0.268789D+01  0.477607D+01 -0.390113D+01
      6   0.170937D+01 -0.335004D+01  0.617492D+01 -0.379353D+01  0.708044D+01
               126           127           128           129           130 
      1  -0.181909D+01 -0.519361D+01 -0.108102D+01  0.107363D+02 -0.276906D+01
      2   0.231831D+01 -0.417211D+00  0.645955D+00  0.178127D+01  0.225661D+01
      3  -0.499219D+00  0.561082D+01  0.435068D+00 -0.125176D+02  0.512444D+00
      4  -0.591893D+01 -0.383907D+01 -0.899473D-01  0.126923D+01  0.226960D+01
      5   0.366237D+01 -0.210727D+01 -0.131265D+01 -0.279424D+01 -0.137670D+01
      6  -0.296257D+01  0.687060D+00 -0.263347D+01 -0.400986D+01 -0.768395D+00
               131           132           133           134           135 
      1  -0.191914D+01 -0.424215D+00  0.111512D+02 -0.940962D+00 -0.197033D+02
      2   0.155447D+01  0.195811D+01 -0.128266D+01  0.153944D+01 -0.857760D+01
      3   0.364679D+00 -0.153390D+01 -0.986856D+01 -0.598473D+00  0.282809D+02
      4   0.214520D+01  0.179515D+01  0.263747D+01  0.287736D+01 -0.277291D+01
      5   0.133836D+01 -0.162290D+01  0.292645D+01  0.607081D-01  0.110036D+02
      6   0.843087D+00  0.369037D+01 -0.155381D+01  0.490885D+01  0.638282D+01
               136           137           138           139           140 
      1   0.487633D+02 -0.125583D+02  0.920314D+01 -0.212670D+02  0.956069D+01
      2  -0.284924D+02  0.835218D+01 -0.773130D+01  0.125997D+02 -0.308012D+01
      3  -0.202710D+02  0.420610D+01 -0.147184D+01  0.866725D+01 -0.648056D+01
      4  -0.779595D+01  0.117303D+02 -0.164773D+01  0.116367D+02 -0.804720D+01
      5   0.191248D+02 -0.491875D+01  0.121066D+02 -0.946388D+01  0.456511D+01
      6  -0.318997D+01  0.424562D+01 -0.105677D+01  0.398836D+01 -0.316884D+01
               141           142           143           144           145 
      1  -0.388943D+01  0.640824D+01 -0.162892D+01  0.371662D+01  0.930763D+01
      2   0.435004D+01 -0.581048D+01  0.232036D+01 -0.556332D+01 -0.120530D+01
      3  -0.460613D+00 -0.597757D+00 -0.691440D+00  0.184670D+01 -0.810233D+01
      4   0.261441D+01 -0.121797D+01  0.886745D+00 -0.320845D+01  0.105209D+02
      5  -0.755163D+01  0.104013D+02 -0.437081D+01  0.617911D+01  0.362990D+01
      6   0.178859D+01 -0.156463D+01  0.210690D+01 -0.512500D+00  0.158127D+01
               146           147           148           149           150 
      1   0.445723D+01  0.163469D+01  0.739385D+01 -0.283691D+01 -0.127768D+01
      2   0.251951D+01 -0.500813D+00  0.382558D+01  0.247762D+02  0.179790D+00
      3  -0.697674D+01 -0.113388D+01 -0.112194D+02 -0.219393D+02  0.109789D+01
      4   0.153930D+02  0.942158D+00  0.214522D+02  0.389064D+02  0.412729D+01
      5   0.161459D+01  0.273650D+01  0.438251D+01  0.456508D+01  0.699538D+01
      6   0.335534D+01  0.129756D+01  0.492293D+01  0.121030D+02  0.736665D+01
               151           152           153 
      1  -0.497274D+00 -0.914693D+00 -0.271082D+01
      2   0.748202D-01 -0.153185D+01  0.187588D+01
      3   0.422454D+00  0.244654D+01  0.834937D+00
      4  -0.848130D+00 -0.699132D+00  0.371052D+01
      5   0.251012D+01  0.441930D+01  0.422630D+00
      6   0.156211D+01  0.592818D+01  0.825986D+00
 Leave Link  716 at Fri Jul 16 19:43:06 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.815984D+02 -0.102112D+01 -0.161447D+01
      2  -0.102112D+01  0.745009D+02 -0.157668D+01
      3  -0.161447D+01 -0.157668D+01  0.658578D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.282952D+01  0.704210D-01 -0.204340D+01
      2  -0.911604D+01 -0.314397D+01 -0.186366D+02
      3   0.575724D+01  0.144359D+02  0.278721D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.206367D+02 -0.175143D+02 -0.252336D+02
      2   0.111131D+02  0.159574D+02  0.984379D+01
      3   0.952360D+01  0.155689D+01  0.153898D+02
      4  -0.901764D+01 -0.296857D+02 -0.847884D+01
      5  -0.220241D+02 -0.635232D+01 -0.400388D+02
      6  -0.677756D-01  0.202954D+01  0.556947D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.144402D+00 -0.203091D+01 -0.114674D+01 -0.181324D+01 -0.343123D+01
      2  -0.203091D+01 -0.492910D+01  0.431130D+00 -0.343123D+01 -0.514163D+00
      3  -0.114674D+01  0.431130D+00  0.384186D+00  0.301726D-01 -0.820680D+00
                 6             7             8             9            10 
      1   0.301726D-01 -0.104226D+01 -0.110958D+01  0.754115D+00 -0.578140D+01
      2  -0.820680D+00 -0.110958D+01 -0.283283D-01 -0.102182D+01  0.358107D+01
      3  -0.403263D+00  0.754115D+00 -0.102182D+01  0.496441D+01  0.114808D+01
                11            12            13            14            15 
      1   0.358107D+01  0.114808D+01  0.284670D+01  0.490408D+00 -0.664291D+00
      2   0.320654D+01 -0.188611D+01  0.490408D+00 -0.232981D+01  0.395710D+00
      3  -0.188611D+01  0.636625D+00 -0.664291D+00  0.395710D+00  0.361920D+00
                16            17            18            19            20 
      1   0.137852D+01 -0.778432D+00 -0.497064D+00  0.769082D+00 -0.252461D+01
      2  -0.778432D+00 -0.784609D+00  0.708886D+00 -0.252461D+01 -0.117834D+01
      3  -0.497064D+00  0.708886D+00 -0.140959D-01  0.110015D+01  0.946615D+00
                21            22            23            24            25 
      1   0.110015D+01 -0.158090D+01  0.221320D-01  0.187240D+00 -0.922243D+00
      2   0.946615D+00  0.221320D-01  0.651948D+01  0.111171D+01  0.304427D+00
      3  -0.249101D+01  0.187240D+00  0.111171D+01 -0.170255D+00 -0.156403D+01
                26            27            28            29            30 
      1   0.304427D+00 -0.156403D+01 -0.113938D+01  0.209454D+01 -0.206312D+01
      2   0.209124D+01  0.344941D+00  0.209454D+01 -0.269706D+01  0.883702D+00
      3   0.344941D+00 -0.530926D+01 -0.206312D+01  0.883702D+00  0.388752D+01
                31            32            33            34            35 
      1   0.175705D+01 -0.198569D+01  0.709621D+00 -0.184087D+01  0.571562D+00
      2  -0.198569D+01 -0.450583D+01 -0.762936D+00  0.571562D+00  0.460488D+00
      3   0.709621D+00 -0.762936D+00  0.167153D+01  0.448262D+01  0.180458D+01
                36            37            38            39            40 
      1   0.448262D+01  0.449533D+00 -0.158149D+01  0.229673D+01 -0.788547D+00
      2   0.180458D+01 -0.158149D+01  0.309734D+01 -0.969689D+00  0.331142D+01
      3  -0.571045D+00  0.229673D+01 -0.969689D+00 -0.117368D+01 -0.128823D+01
                41            42            43            44            45 
      1   0.331142D+01 -0.128823D+01  0.246735D+01 -0.188436D+01 -0.917839D+00
      2   0.189563D+01  0.163952D+00 -0.188436D+01 -0.837402D-01 -0.324884D+01
      3   0.163952D+00 -0.223551D+01 -0.917839D+00 -0.324884D+01 -0.466591D+01
                46            47            48            49            50 
      1   0.149213D+02 -0.345662D+01 -0.206429D+01 -0.301599D+01  0.371507D+01
      2  -0.345662D+01  0.159043D+01  0.776709D+00  0.371507D+01 -0.237328D+01
      3  -0.206429D+01  0.776709D+00  0.152480D+01  0.719693D+00 -0.104020D+01
                51            52            53            54            55 
      1   0.719693D+00 -0.204887D+01  0.667864D+00  0.382186D+01 -0.626501D+00
      2  -0.104020D+01  0.667864D+00 -0.461873D+00 -0.146080D+01  0.499904D+00
      3  -0.769815D+00  0.382186D+01 -0.146080D+01 -0.194781D+01 -0.929117D+00
                56            57            58            59            60 
      1   0.499904D+00 -0.929117D+00  0.121083D+00  0.240056D+00  0.106545D+00
      2   0.514226D+00 -0.651125D-01  0.240056D+00  0.882062D+00 -0.972562D+00
      3  -0.651125D-01 -0.353273D+00  0.106545D+00 -0.972562D+00  0.558592D+00
                61            62            63            64            65 
      1  -0.168845D+01  0.234575D+00 -0.721295D-01  0.415879D+01  0.313275D+01
      2   0.234575D+00 -0.226165D+01  0.212669D+01  0.313275D+01  0.434009D+01
      3  -0.721295D-01  0.212669D+01 -0.785340D+01  0.274119D+00 -0.104199D-01
                66            67            68            69            70 
      1   0.274119D+00  0.268754D+01  0.286868D+01  0.851002D-01  0.106821D+01
      2  -0.104199D-01  0.286868D+01  0.587552D+01  0.478708D+00  0.843120D+00
      3   0.702784D+00  0.851002D-01  0.478708D+00  0.986859D+00  0.494372D+00
                71            72            73            74            75 
      1   0.843120D+00  0.494372D+00  0.848649D+00  0.433857D-01  0.132177D+01
      2   0.124493D+01  0.123286D+01  0.433857D-01  0.643795D+00 -0.735534D+00
      3   0.123286D+01 -0.157010D-02  0.132177D+01 -0.735534D+00  0.202211D+01
                76            77            78            79            80 
      1   0.447264D+00  0.901055D-01 -0.115204D+00  0.228804D+01 -0.292624D+00
      2   0.901055D-01 -0.999801D+00  0.110640D+01 -0.292624D+00  0.155995D+01
      3  -0.115204D+00  0.110640D+01 -0.290214D+00  0.136070D+01 -0.174613D+01
                81            82            83            84            85 
      1   0.136070D+01 -0.124791D+00 -0.966105D+00 -0.424676D+00 -0.169010D+01
      2  -0.174613D+01 -0.966105D+00  0.411167D+00 -0.218404D+00 -0.487165D-01
      3   0.908377D+01 -0.424676D+00 -0.218404D+00  0.251716D+00 -0.865389D-01
                86            87            88            89            90 
      1  -0.487165D-01 -0.865389D-01 -0.583957D+00  0.126635D+00  0.411235D-01
      2  -0.909195D+01 -0.292036D+00  0.126635D+00 -0.241330D+01 -0.121802D+01
      3  -0.292036D+00 -0.133354D+01  0.411235D-01 -0.121802D+01  0.185701D+00
                91            92            93            94            95 
      1  -0.477112D+01 -0.948290D+00  0.274483D+01 -0.719599D+00 -0.769455D+00
      2  -0.948290D+00 -0.776665D+00  0.181688D+00 -0.769455D+00 -0.105142D+00
      3   0.274483D+01  0.181688D+00 -0.338392D+01  0.150470D+00  0.102098D+01
                96            97            98            99           100 
      1   0.150470D+00  0.321668D+01  0.382933D+00 -0.340303D+01  0.332356D+01
      2   0.102098D+01  0.382933D+00  0.106188D+01 -0.786109D+00 -0.247915D+01
      3  -0.775762D+00 -0.340303D+01 -0.786109D+00  0.523233D+01  0.177323D+01
               101           102           103           104           105 
      1  -0.247915D+01  0.177323D+01 -0.305082D+01  0.383302D+01 -0.113211D+01
      2   0.283790D+01 -0.988476D+00  0.383302D+01  0.562603D+01  0.550602D+00
      3  -0.988476D+00 -0.328941D+01 -0.113211D+01  0.550602D+00 -0.135437D+01
               106           107           108           109           110 
      1   0.143848D+01 -0.107283D+01 -0.374600D+01  0.477376D+00  0.750973D+00
      2  -0.107283D+01 -0.537546D+00 -0.140409D+01  0.750973D+00  0.705449D-01
      3  -0.374600D+01 -0.140409D+01  0.131418D+01  0.748757D+00  0.366393D+00
               111           112           113           114           115 
      1   0.748757D+00  0.703914D+00 -0.290643D+00  0.509453D-01  0.124894D+01
      2   0.366393D+00 -0.290643D+00  0.221096D+01  0.206337D+01  0.369078D+00
      3   0.716142D+00  0.509453D-01  0.206337D+01  0.226544D+01  0.322649D-01
               116           117           118           119           120 
      1   0.369078D+00  0.322649D-01 -0.450260D+01  0.286736D+01 -0.113526D+01
      2   0.306111D+01  0.346043D+01  0.286736D+01 -0.358257D+01  0.619913D+00
      3   0.346043D+01  0.727048D+01 -0.113526D+01  0.619913D+00 -0.961224D+00
               121           122           123           124           125 
      1   0.240330D+01 -0.271549D+01  0.545033D+00 -0.187248D+01  0.116903D+01
      2  -0.271549D+01  0.419141D+01 -0.773376D+00  0.116903D+01 -0.185509D+01
      3   0.545033D+00 -0.773376D+00  0.123290D+01 -0.992194D+00  0.153798D+01
               126           127           128           129           130 
      1  -0.992194D+00  0.195943D+01  0.537299D+00 -0.123900D+01  0.598567D+00
      2   0.153798D+01  0.537299D+00  0.596079D+00  0.313136D+00  0.103635D-02
      3  -0.645316D+00 -0.123900D+01  0.313136D+00  0.294204D+01  0.119228D+00
               131           132           133           134           135 
      1   0.103635D-02  0.119228D+00 -0.198547D+01 -0.809697D-01  0.128815D+01
      2  -0.451669D+00 -0.762170D+00 -0.809697D-01 -0.110873D+01 -0.110210D+00
      3  -0.762170D+00  0.422915D+00  0.128815D+01 -0.110210D+00 -0.584517D+01
               136           137           138           139           140 
      1  -0.772199D+01  0.196353D+01 -0.200663D+01  0.367405D+01 -0.210938D+01
      2   0.196353D+01 -0.208023D+01  0.438385D+00 -0.210938D+01  0.138804D+01
      3  -0.200663D+01  0.438385D+00 -0.135240D+01  0.113778D+01 -0.525716D+00
               141           142           143           144           145 
      1   0.113778D+01 -0.123131D+01  0.478457D+00 -0.100716D+01 -0.209553D+01
      2  -0.525716D+00  0.478457D+00 -0.159968D+00  0.584026D+00 -0.148364D+01
      3   0.129393D+01 -0.100716D+01  0.584026D+00 -0.992188D+00 -0.398830D+00
               146           147           148           149           150 
      1  -0.148364D+01 -0.398830D+00 -0.258029D+01 -0.322132D+01 -0.555445D+00
      2  -0.206416D+01 -0.839234D-01 -0.322132D+01 -0.821749D+01 -0.941770D+00
      3  -0.839234D-01 -0.630023D-01 -0.555445D+00 -0.941770D+00 -0.146135D+01
               151           152           153 
      1   0.109704D+00  0.711153D-01 -0.757691D-01
      2   0.711153D-01  0.215233D+00 -0.804369D+00
      3  -0.757691D-01 -0.804369D+00 -0.205110D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.490150D+01  0.429972D+01 -0.133439D+01  0.183868D+01  0.264813D+01
      2  -0.108944D+01 -0.144102D+01  0.124745D+01 -0.176750D+01 -0.289560D+01
      3   0.424434D+01  0.284382D+00 -0.433601D+01  0.631594D+01 -0.373174D+01
                 6             7             8             9            10 
      1  -0.465255D+01 -0.459049D+01  0.493905D+01 -0.690061D+01 -0.269417D+01
      2  -0.111402D+01 -0.298789D+01 -0.264747D+01  0.758971D+01 -0.377135D+01
      3  -0.340457D+00 -0.333377D+01 -0.336890D+01  0.401097D+01  0.187261D+01
                11            12            13            14            15 
      1   0.835347D+01 -0.330709D+01  0.552808D+01  0.536482D+01  0.973341D+00
      2  -0.692813D+01 -0.486800D+01 -0.388046D+01 -0.219204D+00  0.182139D+01
      3  -0.271956D+01  0.359498D+01  0.154221D+01 -0.183630D+01 -0.193253D+01
                16            17            18            19            20 
      1   0.239041D+01  0.176334D+02 -0.709094D+01 -0.655236D+00 -0.536692D+00
      2  -0.119656D+02 -0.203834D+01  0.665307D+01 -0.368669D+01  0.419231D+01
      3   0.232842D+01 -0.538021D+01  0.301064D+00 -0.396785D+00  0.294628D+01
                21            22            23            24            25 
      1  -0.520385D+01  0.116767D+01  0.856516D+01 -0.279727D+01 -0.529900D+00
      2   0.147400D+01  0.342859D+01 -0.750473D+00  0.271242D+01 -0.479194D+01
      3  -0.196886D+01  0.778517D+01 -0.597055D+01  0.114012D+01 -0.130700D+01
                26            27            28            29            30 
      1   0.510617D+01 -0.741917D+01  0.129840D+01 -0.194290D+01  0.775835D+00
      2   0.121285D+01 -0.221882D+01  0.790520D+01 -0.170705D+01 -0.130944D+01
      3   0.100256D+01  0.141827D+01  0.455888D+01 -0.848336D+01  0.154929D+01
                31            32            33            34            35 
      1  -0.278588D+01 -0.298865D+01 -0.299847D+01 -0.251859D+00  0.459220D+01
      2  -0.324774D+01  0.110362D+01 -0.210263D+01 -0.846521D+01 -0.381561D+01
      3  -0.241731D+01 -0.628282D+01  0.496335D-01  0.910048D+00  0.667942D-02
                36            37            38            39            40 
      1   0.439766D+00 -0.387212D+01  0.533799D+01  0.189457D+01  0.540940D+01
      2   0.149744D+00 -0.625131D+01  0.326995D+01  0.175601D+01  0.243736D+01
      3   0.112954D+01 -0.480254D+01 -0.142669D+01  0.304576D+01  0.465138D+01
                41            42            43            44            45 
      1   0.254393D+01  0.191424D+01  0.145280D+01  0.911036D+01  0.463030D+01
      2  -0.231379D+01  0.251349D+01 -0.412927D+01  0.457245D+01  0.404150D+01
      3   0.794674D+01 -0.160356D+01  0.334203D+01 -0.342413D+01 -0.364343D+01
                46            47            48            49            50 
      1   0.104661D+01 -0.515189D+01  0.397258D+01 -0.148064D+01  0.593188D-01
      2  -0.983789D+00  0.121822D+01  0.121024D+02  0.131691D+01 -0.113226D+01
      3  -0.183349D+01 -0.125454D+02  0.313270D+00 -0.122737D+01  0.625808D+01
                51            52            53            54            55 
      1  -0.281673D+01 -0.596104D+00 -0.337606D+01  0.151108D+01  0.151277D+00
      2  -0.362260D+01  0.411528D+01  0.234809D+00 -0.590743D+01 -0.185484D+01
      3   0.799019D+00  0.146949D+01  0.418617D+01  0.281693D+00 -0.177623D+01
                56            57            58            59            60 
      1   0.104359D+01  0.707743D+00  0.148153D+01 -0.114774D+00 -0.554500D+00
      2   0.160656D+00  0.436151D-01 -0.189238D+00 -0.463179D+00 -0.458297D-01
      3  -0.114211D+01 -0.590303D+00  0.493764D+00  0.853437D+00  0.237228D+00
                61            62            63            64            65 
      1   0.823360D+00 -0.220366D+01  0.139971D+02 -0.164312D+01 -0.549789D+01
      2  -0.350166D+01  0.280439D+01 -0.918296D+01  0.208962D+01  0.231010D+01
      3  -0.280928D+01  0.293196D+01 -0.219504D+01  0.398414D+01 -0.522552D+00
                66            67            68            69            70 
      1  -0.167914D+01 -0.244162D+01 -0.406330D+01 -0.290594D+01 -0.131359D+01
      2   0.239485D+01  0.188314D+01  0.308883D+01  0.158009D+01  0.162508D+00
      3   0.629661D+00  0.451890D+01 -0.238087D+00 -0.422361D+00  0.165129D+01
                71            72            73            74            75 
      1  -0.185144D+01 -0.709016D+00 -0.190984D+00 -0.115795D+01  0.448298D+01
      2   0.169934D+01  0.253289D+00  0.771214D+00 -0.412899D-02 -0.540361D+00
      3  -0.209239D+00 -0.203547D+00 -0.302141D+00 -0.172746D+01 -0.146893D+01
                76            77            78            79            80 
      1  -0.133038D+01  0.179228D+00  0.326007D+00  0.116792D+01 -0.389268D-01
      2  -0.673708D+00  0.100314D+00 -0.396963D-01 -0.407188D+01  0.455880D+00
      3   0.465785D+00  0.151235D+00 -0.500862D-01 -0.264841D+01  0.220645D+00
                81            82            83            84            85 
      1   0.116142D+02  0.101346D+00  0.239719D+00 -0.462947D+00 -0.137952D+01
      2   0.820598D+00 -0.939906D+00 -0.694845D-01  0.162746D+01  0.137837D+01
      3  -0.223465D+01  0.472014D+00 -0.125267D+01  0.897696D+00  0.550279D+01
                86            87            88            89            90 
      1  -0.110418D+02 -0.390122D+01 -0.536577D+00 -0.311349D+01 -0.155612D+01
      2   0.161129D+00 -0.621524D+00 -0.236565D+00  0.436871D-01 -0.301907D+00
      3   0.269502D+01  0.417149D-02  0.203786D+01  0.112432D+01  0.216942D+00
                91            92            93            94            95 
      1  -0.485756D+00 -0.168198D+01 -0.707888D+00 -0.329584D+00  0.884218D-01
      2   0.524006D+00  0.371905D+00  0.437099D+01  0.517479D+00 -0.877978D+00
      3   0.200381D+00 -0.270268D+01 -0.639630D+00  0.605255D+00 -0.605835D-01
                96            97            98            99           100 
      1  -0.322061D+00  0.188695D+00  0.283491D+01  0.787122D-01  0.469077D+01
      2   0.135945D+01 -0.989852D-01  0.860938D+00 -0.543937D+01  0.146320D+00
      3   0.138535D+01 -0.929884D+00  0.288228D+01 -0.223328D+00 -0.888086D+01
               101           102           103           104           105 
      1  -0.447416D+01 -0.238030D+01 -0.660183D+01 -0.664310D+01 -0.448453D+01
      2   0.708200D-01  0.134726D+02  0.139760D+00  0.284299D+01  0.197899D+01
      3   0.682038D+01 -0.395671D+01  0.133853D+02  0.995952D+01  0.191323D+01
               106           107           108           109           110 
      1  -0.159073D+01  0.285675D+00  0.346856D+01  0.182889D+00 -0.634357D+00
      2   0.772203D+01  0.203843D+01 -0.718093D+01 -0.901342D+00 -0.983020D+00
      3  -0.374153D+01  0.341105D+00 -0.374399D+00  0.183675D+01  0.171736D+00
               111           112           113           114           115 
      1  -0.858120D+00 -0.327618D+00 -0.117369D+01 -0.356425D+01  0.342259D-01
      2   0.353810D-01 -0.135447D+01 -0.139133D+01 -0.192348D+01 -0.320296D+01
      3   0.121750D+01  0.209547D+01  0.685802D+00  0.198741D+01  0.303698D+01
               116           117           118           119           120 
      1  -0.310581D+00 -0.981665D+01  0.268827D+01 -0.198363D+01  0.273930D+01
      2  -0.283731D+01 -0.590921D+01  0.308266D+01 -0.221904D+01  0.322326D+01
      3   0.299849D+01  0.238154D+01 -0.559920D+01 -0.131029D+01 -0.118680D+01
               121           122           123           124           125 
      1  -0.223192D+01  0.275949D+01 -0.382704D+01  0.165937D+01 -0.160928D+01
      2  -0.143473D+01  0.213095D+01 -0.232993D+01  0.823432D+00 -0.226418D+01
      3   0.361139D+01 -0.833435D-01  0.715876D-01 -0.310637D+01 -0.101349D+01
               126           127           128           129           130 
      1   0.224360D+01 -0.231172D+01 -0.188520D+01  0.250890D+01 -0.470218D+00
      2   0.179563D+01  0.698828D+01  0.746833D+00 -0.664863D+01  0.119175D+01
      3   0.930536D-01 -0.916880D+00 -0.313363D+00  0.133579D+01  0.553263D+00
               131           132           133           134           135 
      1  -0.564946D+00  0.232435D+00  0.199108D+01  0.336068D+01 -0.469935D+01
      2   0.175513D+01 -0.762321D+00 -0.848011D+01 -0.356157D+00  0.134107D+02
      3  -0.589371D+00 -0.132528D+01  0.127944D+01 -0.143894D+01 -0.125929D+01
               136           137           138           139           140 
      1  -0.389955D+01  0.334960D+01 -0.741157D+00  0.260709D+01 -0.223675D+01
      2  -0.254766D+01  0.102049D+01  0.375604D+01  0.128156D+01 -0.659151D+00
      3   0.872590D+01 -0.872552D+01  0.232297D+01 -0.538356D+01  0.565252D+01
               141           142           143           144           145 
      1   0.415924D-01 -0.115366D+01  0.164000D+01 -0.123790D+01  0.691596D+00
      2  -0.307062D+01 -0.743276D+00 -0.971052D+00  0.182083D+01 -0.288646D+00
      3  -0.150419D+01  0.214285D+01 -0.110273D+01  0.216751D+01 -0.876421D+00
               146           147           148           149           150 
      1   0.232256D+01 -0.407027D+00  0.215444D+01  0.740711D+01 -0.359085D+01
      2  -0.797980D+00  0.790143D+00 -0.102706D+01 -0.479985D+00  0.366682D+01
      3  -0.460138D+01  0.290969D-01 -0.169927D+01 -0.159200D+02 -0.121677D+01
               151           152           153 
      1   0.344563D+00  0.251208D+00  0.657718D+00
      2  -0.946980D+00  0.151773D+01  0.413067D+00
      3  -0.322157D+00  0.243422D+00 -0.186690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.553667D-01  0.253698D+01  0.475731D+00 -0.370629D+01 -0.517260D+01
      2  -0.468993D+01 -0.158549D+02  0.573821D+00 -0.670951D+01  0.143751D+01
      3   0.474529D+01  0.133179D+02 -0.104955D+01  0.104158D+02  0.373509D+01
      4  -0.667511D+01 -0.141349D+02 -0.308871D+01 -0.602402D+01 -0.154284D+02
      5   0.168570D-01 -0.217551D+01  0.445651D+00 -0.156878D+01 -0.124721D+01
      6  -0.362388D+01 -0.335312D+00  0.293471D+01 -0.194873D+01 -0.403699D+01
                 6             7             8             9            10 
      1   0.232472D+01  0.509389D+01 -0.437164D+01  0.104749D+02 -0.392591D+02
      2  -0.356810D+01 -0.312920D+01 -0.569337D+01  0.365836D+01  0.198966D+02
      3   0.124338D+01 -0.196469D+01  0.100650D+02 -0.141333D+02  0.193625D+02
      4  -0.116268D+01 -0.723078D+01  0.601496D-01 -0.340065D+01  0.168119D+02
      5  -0.165006D+01 -0.387682D+00 -0.103617D+01  0.428772D+01  0.945115D+01
      6   0.389362D+01  0.351218D+01 -0.380286D+01  0.152165D+02 -0.443070D+01
                11            12            13            14            15 
      1   0.625709D+01  0.176286D+01  0.145505D+02  0.282920D+00 -0.505205D+01
      2   0.291906D+01 -0.592837D+01 -0.934575D+01 -0.263023D+01  0.155638D+01
      3  -0.917615D+01  0.416551D+01 -0.520471D+01  0.234731D+01  0.349567D+01
      4  -0.115239D+02 -0.186241D+01 -0.264921D+01  0.281512D+01  0.965977D+00
      5  -0.936855D+00 -0.970750D+01 -0.230063D+01  0.185929D+01  0.459371D+01
      6   0.663035D+01  0.297987D+01  0.227851D+01  0.831639D+00 -0.423465D+01
                16            17            18            19            20 
      1   0.100083D+02 -0.403861D+01 -0.713664D+01 -0.159445D+01 -0.325570D+01
      2  -0.483249D+01  0.258652D+01 -0.850260D+00  0.338380D+01  0.184988D+01
      3  -0.517586D+01  0.145209D+01  0.798690D+01 -0.178935D+01  0.140582D+01
      4  -0.159499D+01  0.573182D+01  0.309068D+01  0.441559D+00  0.262236D+01
      5   0.141523D+01  0.113117D+01  0.728101D+01 -0.459243D+01 -0.112486D+01
      6   0.182715D+01  0.616419D+00  0.519578D+00 -0.350023D+01 -0.303155D+01
                21            22            23            24            25 
      1   0.591076D+01  0.442701D+01  0.726544D+01  0.283928D+01 -0.312575D+00
      2   0.338822D+01 -0.383772D+01 -0.190862D+02 -0.258588D+01  0.188260D+01
      3  -0.929898D+01 -0.589287D+00  0.118207D+02 -0.253396D+00 -0.157003D+01
      4  -0.615278D+00 -0.819564D-01  0.335423D+01 -0.485200D+00 -0.116352D+01
      5   0.776793D+00 -0.128327D+01 -0.320291D+00  0.383938D+01  0.302430D+01
      6   0.574066D+01  0.689755D+00 -0.348194D+01  0.365700D+01  0.111890D+01
                26            27            28            29            30 
      1   0.115575D+01  0.179078D+02  0.405798D+00 -0.356136D+01  0.584634D+01
      2  -0.812891D+01  0.452438D+01  0.323634D+01  0.122799D+01 -0.490914D+01
      3   0.697315D+01 -0.224322D+02 -0.364214D+01  0.233337D+01 -0.937197D+00
      4  -0.217269D+01  0.314075D+01 -0.393916D+01  0.213792D+01 -0.148238D+01
      5   0.265346D+01 -0.103805D+02  0.125483D+02  0.111692D+01 -0.172324D+02
      6   0.758107D+00  0.108792D+02  0.236778D+01 -0.149549D+01 -0.451689D+01
                31            32            33            34            35 
      1  -0.700229D+01  0.628182D+01 -0.322636D+01  0.118227D+01 -0.351756D+01
      2   0.493816D+01 -0.312392D+01  0.214494D+01 -0.474924D+01  0.653917D+00
      3   0.206414D+01 -0.315790D+01  0.108142D+01  0.356697D+01  0.286364D+01
      4   0.455714D+01  0.678942D+01  0.570571D+00 -0.489866D+01 -0.264479D+01
      5  -0.801155D+00  0.953881D+00 -0.552319D+01 -0.203762D+02 -0.687428D+01
      6   0.793192D+00 -0.903618D+00 -0.158290D+01 -0.477796D+01 -0.304061D+00
                36            37            38            39            40 
      1  -0.153189D+02 -0.278217D+01  0.161336D+01 -0.388960D+00  0.329463D+01
      2   0.126324D+02 -0.419269D+01  0.920528D+01 -0.137859D+01  0.691059D+01
      3   0.268647D+01  0.697486D+01 -0.108186D+02  0.176755D+01 -0.102052D+02
      4  -0.836836D+01  0.468709D+01 -0.124230D+02  0.764845D+01 -0.103643D+02
      5   0.101612D+02 -0.640587D+01  0.332031D+01  0.159044D+01  0.864369D+00
      6   0.157863D+01  0.512799D+01 -0.429726D+01 -0.309784D+01 -0.369693D+01
                41            42            43            44            45 
      1  -0.530060D+01  0.570152D+01 -0.986903D+00  0.928209D+01  0.139494D+02
      2   0.680837D+01  0.208076D+01 -0.208309D+01  0.277341D+01 -0.527241D+01
      3  -0.150777D+01 -0.778228D+01  0.306999D+01 -0.120555D+02 -0.867694D+01
      4   0.684126D+01 -0.289532D+01  0.120278D+02 -0.248461D+01  0.651034D+01
      5  -0.244143D+01  0.171797D+01  0.282249D+01  0.408616D+01  0.223946D+01
      6   0.162751D+01 -0.909512D+01 -0.754297D+00 -0.111073D+02 -0.189131D+02
                46            47            48            49            50 
      1   0.841330D+02 -0.126247D+02 -0.687255D+01 -0.131453D+02  0.956996D+01
      2  -0.440737D+02  0.285121D+01  0.626930D+01  0.411935D+01  0.692875D+00
      3  -0.400593D+02  0.977352D+01  0.603254D+00  0.902594D+01 -0.102628D+02
      4  -0.250945D+02  0.228611D+02  0.352631D+01  0.240016D+02 -0.156847D+02
      5  -0.118101D+02  0.220512D+01  0.202852D+02  0.421849D+01 -0.404638D+01
      6   0.749514D+01 -0.417116D+01 -0.500971D+01 -0.454424D+01  0.388598D+01
                51            52            53            54            55 
      1   0.201526D+01 -0.712198D+01  0.212362D+01  0.109847D+02 -0.210049D+01
      2  -0.124364D+01  0.630459D+01 -0.917196D-01 -0.109304D+02 -0.736924D+00
      3  -0.771615D+00  0.817389D+00 -0.203191D+01 -0.542408D-01  0.283741D+01
      4  -0.508909D+01  0.526475D+01 -0.548586D+01 -0.739516D+01  0.325055D+00
      5  -0.622362D+01  0.233158D+02 -0.674934D+01 -0.122094D+02 -0.319108D+00
      6   0.704883D+01 -0.595830D+01  0.779924D+01  0.361900D+01 -0.246492D+01
                56            57            58            59            60 
      1   0.746445D+00 -0.149665D+01 -0.191017D+00 -0.460699D+01  0.308515D+01
      2   0.553020D+00  0.450770D+00  0.854036D+00  0.381672D+01 -0.366859D+01
      3  -0.129947D+01  0.104588D+01 -0.663019D+00  0.790266D+00  0.583437D+00
      4   0.465075D+01 -0.222531D+01  0.216413D+01  0.255875D+01 -0.885040D+00
      5  -0.108579D+01  0.479882D+01  0.507498D+00 -0.368015D+00 -0.303172D+00
      6  -0.226451D+00 -0.175996D+01 -0.177162D+00 -0.422583D+01  0.641446D+01
                61            62            63            64            65 
      1  -0.332596D+01  0.908338D+01 -0.191928D+02  0.815715D+01 -0.375516D+00
      2   0.152127D+01 -0.338330D+01 -0.829033D+01  0.423495D+01  0.127447D+02
      3   0.180469D+01 -0.570008D+01  0.274832D+02 -0.123921D+02 -0.123692D+02
      4  -0.292876D+01 -0.323523D+01  0.470691D+01  0.202888D+02  0.231592D+02
      5   0.502494D+01  0.215170D+01 -0.779650D+01  0.982138D+00  0.575615D+00
      6  -0.105404D+00  0.120232D+02 -0.236050D+02  0.984297D+00  0.289035D+00
                66            67            68            69            70 
      1   0.404475D+00 -0.265409D+00 -0.900559D+01  0.202381D+00  0.785219D+00
      2   0.161441D+00  0.999368D+01  0.253967D+02  0.152571D+01  0.868994D+00
      3  -0.565916D+00 -0.972827D+01 -0.163911D+02 -0.172809D+01 -0.165421D+01
      4   0.909275D+00  0.164857D+02  0.232591D+02  0.149020D+01  0.482696D+01
      5   0.411635D+01  0.741342D+00  0.223896D+01  0.232914D+01  0.340669D+01
      6   0.320038D+01  0.322176D+00  0.107585D+01  0.532844D+01  0.302609D+01
                71            72            73            74            75 
      1  -0.422150D+00 -0.295695D+01  0.498047D+00  0.237190D+01 -0.400867D+01
      2   0.491841D+01  0.244623D+01 -0.401861D+01 -0.599838D+00 -0.310714D+01
      3  -0.449626D+01  0.510720D+00  0.352056D+01 -0.177206D+01  0.711580D+01
      4   0.457702D+01  0.515785D+01 -0.164964D+01  0.331552D+01 -0.375409D+01
      5   0.398150D+01  0.158852D+01  0.515117D+01 -0.231509D+01  0.939419D+01
      6   0.712880D+01  0.603457D+00 -0.252219D+01  0.310286D+01 -0.522068D+01
                76            77            78            79            80 
      1   0.262551D+00 -0.613360D+01  0.218205D+01 -0.139099D+01  0.672932D+01
      2   0.577729D+00  0.382214D+01 -0.330534D+01 -0.247150D+01 -0.909958D+00
      3  -0.840280D+00  0.231146D+01  0.112329D+01  0.386250D+01 -0.581936D+01
      4   0.123381D+01 -0.457601D+00  0.130173D+01 -0.403778D+01  0.207790D+01
      5   0.235911D+00  0.152432D+01 -0.209220D+00  0.672601D+01 -0.219155D+01
      6   0.132383D+01 -0.352929D+01  0.663279D+01 -0.266233D+01  0.101654D+02
                81            82            83            84            85 
      1  -0.258489D+02  0.162378D+00  0.429127D+00 -0.107813D+01 -0.124540D+01
      2  -0.135275D+02  0.295568D+01 -0.113417D+01  0.565127D+00  0.123642D+01
      3   0.393764D+02 -0.311805D+01  0.705040D+00  0.513007D+00  0.898371D-02
      4  -0.314259D+01 -0.297781D+00  0.818537D+01  0.471906D+00  0.679635D+01
      5   0.114678D+02 -0.529836D+00 -0.113749D+01  0.191713D+01 -0.450503D+00
      6  -0.199477D+02  0.708072D+00  0.495098D+00 -0.262554D+00  0.407398D+00
                86            87            88            89            90 
      1  -0.239277D+02  0.770284D+00 -0.364605D+00 -0.359141D+01 -0.540087D+01
      2   0.424493D+02  0.176573D+01  0.133194D+00  0.855107D+01  0.341181D+01
      3  -0.185216D+02 -0.253602D+01  0.231411D+00 -0.495966D+01  0.198906D+01
      4  -0.168306D+01  0.118360D-01  0.240533D+01 -0.133995D+01 -0.244313D+00
      5   0.194465D+00 -0.577178D+00  0.846959D+00 -0.190119D+00  0.767596D+00
      6  -0.387952D+01  0.653153D+01  0.178670D+00  0.607831D+01  0.732441D+00
                91            92            93            94            95 
      1   0.168967D+02  0.223203D+01 -0.768378D+01  0.232605D+01  0.159057D+00
      2  -0.146437D+02 -0.182760D+01  0.959914D+01 -0.144503D+01 -0.207597D-01
      3  -0.225301D+01 -0.404429D+00 -0.191536D+01 -0.881023D+00 -0.138297D+00
      4   0.501409D+01  0.518168D+01 -0.198425D+01  0.551776D+01  0.138879D+01
      5  -0.199810D+02 -0.218154D+01  0.199991D+02 -0.202696D+01 -0.533053D+01
      6  -0.272108D+01 -0.253780D+01  0.336534D+01 -0.282341D+01 -0.200708D+01
                96            97            98            99           100 
      1  -0.116734D-01 -0.695296D+01 -0.544067D-01  0.185937D+01 -0.176638D+02
      2   0.138170D+00  0.113855D+02  0.112610D+01 -0.154061D+02  0.113078D+02
      3  -0.126497D+00 -0.443258D+01 -0.107169D+01  0.135467D+02  0.635597D+01
      4  -0.402640D+01 -0.242508D+01 -0.357318D+01  0.298641D+01  0.111576D+02
      5   0.318133D+01  0.207275D+02  0.341577D+01 -0.258849D+02 -0.107878D+02
      6   0.559638D+01  0.288139D+01  0.498263D+01 -0.505879D+01  0.336605D+01
               101           102           103           104           105 
      1   0.152836D+02 -0.158545D+02  0.201125D+02 -0.104386D+02  0.441616D+01
      2  -0.139151D+02 -0.119957D+00 -0.184859D+02 -0.907594D+01 -0.554190D+01
      3  -0.136856D+01  0.159744D+02 -0.162657D+01  0.195146D+02  0.112574D+01
      4  -0.106696D+02  0.269692D+01 -0.159929D+02 -0.255276D+02 -0.170904D+01
      5   0.683128D+01  0.813423D+01  0.864648D+01 -0.395228D+01  0.558724D+01
      6  -0.353980D+01  0.602489D+01 -0.458451D+01 -0.522398D+01  0.260238D+01
               106           107           108           109           110 
      1  -0.127002D+02  0.392289D+01  0.180191D+02 -0.126435D+01 -0.272024D+01
      2   0.544685D+00 -0.374153D+01 -0.475207D+01  0.256758D+00  0.108639D+01
      3   0.121555D+02 -0.181354D+00 -0.132670D+02  0.100759D+01  0.163385D+01
      4   0.408988D+01  0.185689D+01  0.103401D+02 -0.328342D+00  0.469265D+01
      5   0.976071D+01  0.630784D+01  0.267012D+01  0.516900D+00  0.177735D+01
      6   0.656022D+01  0.180860D+01  0.384543D+00  0.339026D+01  0.237951D+01
               111           112           113           114           115 
      1  -0.259270D+01 -0.698554D+00 -0.924109D+01 -0.863194D+01 -0.206157D+01
      2   0.117057D+01 -0.556295D+00  0.845211D+01  0.555404D+01  0.123167D+01
      3   0.142214D+01  0.125485D+01  0.788984D+00  0.307790D+01  0.829894D+00
      4   0.247755D+01  0.435478D+01 -0.338716D+01 -0.205379D+01  0.357224D+01
      5   0.475993D+01  0.123309D+01 -0.171836D+01 -0.189528D+01  0.467773D+01
      6   0.321630D+01  0.493402D+00  0.118633D+02  0.140445D+02 -0.517573D+00
               116           117           118           119           120 
      1  -0.126795D+02 -0.207288D+02  0.103871D+02 -0.111245D+01  0.184897D+01
      2   0.676047D+01 -0.160260D+01  0.279957D+01 -0.994289D+01  0.791970D+00
      3   0.591900D+01  0.223314D+02 -0.131867D+02  0.110553D+02 -0.264094D+01
      4  -0.444929D+01 -0.519222D+01 -0.206485D+02  0.194122D+02 -0.485831D+01
      5  -0.391533D+01 -0.707428D+01  0.349768D+01 -0.182933D+01  0.453113D+01
      6   0.183300D+02  0.286808D+02 -0.325494D+01  0.177047D+01 -0.382544D+01
               121           122           123           124           125 
      1  -0.139596D+01 -0.420425D+01  0.276731D-01  0.216212D+01  0.913889D+00
      2  -0.829318D+01  0.171453D+02 -0.344247D+01  0.148761D+01 -0.669795D+01
      3   0.968914D+01 -0.129411D+02  0.341480D+01 -0.364973D+01  0.578407D+01
      4   0.162410D+02 -0.188636D+02  0.381493D+01 -0.847879D+01  0.801686D+01
      5  -0.155780D+01  0.218502D+01 -0.268789D+01  0.477607D+01 -0.390113D+01
      6   0.170937D+01 -0.335004D+01  0.617492D+01 -0.379353D+01  0.708044D+01
               126           127           128           129           130 
      1  -0.181909D+01 -0.519361D+01 -0.108102D+01  0.107363D+02 -0.276906D+01
      2   0.231831D+01 -0.417211D+00  0.645955D+00  0.178127D+01  0.225661D+01
      3  -0.499219D+00  0.561082D+01  0.435068D+00 -0.125176D+02  0.512444D+00
      4  -0.591893D+01 -0.383907D+01 -0.899473D-01  0.126923D+01  0.226960D+01
      5   0.366237D+01 -0.210727D+01 -0.131265D+01 -0.279424D+01 -0.137670D+01
      6  -0.296257D+01  0.687060D+00 -0.263347D+01 -0.400986D+01 -0.768395D+00
               131           132           133           134           135 
      1  -0.191914D+01 -0.424215D+00  0.111512D+02 -0.940962D+00 -0.197033D+02
      2   0.155447D+01  0.195811D+01 -0.128266D+01  0.153944D+01 -0.857760D+01
      3   0.364679D+00 -0.153390D+01 -0.986856D+01 -0.598473D+00  0.282809D+02
      4   0.214520D+01  0.179515D+01  0.263747D+01  0.287736D+01 -0.277291D+01
      5   0.133836D+01 -0.162290D+01  0.292645D+01  0.607081D-01  0.110036D+02
      6   0.843087D+00  0.369037D+01 -0.155381D+01  0.490885D+01  0.638282D+01
               136           137           138           139           140 
      1   0.487633D+02 -0.125583D+02  0.920314D+01 -0.212670D+02  0.956069D+01
      2  -0.284924D+02  0.835218D+01 -0.773130D+01  0.125997D+02 -0.308012D+01
      3  -0.202710D+02  0.420610D+01 -0.147184D+01  0.866725D+01 -0.648056D+01
      4  -0.779595D+01  0.117303D+02 -0.164773D+01  0.116367D+02 -0.804720D+01
      5   0.191248D+02 -0.491875D+01  0.121066D+02 -0.946388D+01  0.456511D+01
      6  -0.318997D+01  0.424562D+01 -0.105677D+01  0.398836D+01 -0.316884D+01
               141           142           143           144           145 
      1  -0.388943D+01  0.640824D+01 -0.162892D+01  0.371662D+01  0.930763D+01
      2   0.435004D+01 -0.581048D+01  0.232036D+01 -0.556332D+01 -0.120530D+01
      3  -0.460613D+00 -0.597757D+00 -0.691440D+00  0.184670D+01 -0.810233D+01
      4   0.261441D+01 -0.121797D+01  0.886745D+00 -0.320845D+01  0.105209D+02
      5  -0.755163D+01  0.104013D+02 -0.437081D+01  0.617911D+01  0.362990D+01
      6   0.178859D+01 -0.156463D+01  0.210690D+01 -0.512500D+00  0.158127D+01
               146           147           148           149           150 
      1   0.445723D+01  0.163469D+01  0.739385D+01 -0.283691D+01 -0.127768D+01
      2   0.251951D+01 -0.500813D+00  0.382558D+01  0.247762D+02  0.179790D+00
      3  -0.697674D+01 -0.113388D+01 -0.112194D+02 -0.219393D+02  0.109789D+01
      4   0.153930D+02  0.942158D+00  0.214522D+02  0.389064D+02  0.412729D+01
      5   0.161459D+01  0.273650D+01  0.438251D+01  0.456508D+01  0.699538D+01
      6   0.335534D+01  0.129756D+01  0.492293D+01  0.121030D+02  0.736665D+01
               151           152           153 
      1  -0.497274D+00 -0.914693D+00 -0.271082D+01
      2   0.748202D-01 -0.153185D+01  0.187588D+01
      3   0.422454D+00  0.244654D+01  0.834937D+00
      4  -0.848130D+00 -0.699132D+00  0.371052D+01
      5   0.251012D+01  0.441930D+01  0.422630D+00
      6   0.156211D+01  0.592818D+01  0.825986D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.739857D+02      0.109635D+02      0.121986D+02
   aniso      0.143117D+02      0.212078D+01      0.235969D+01
   xx         0.815984D+02      0.120916D+02      0.134538D+02
   yx        -0.102112D+01     -0.151314D+00     -0.168359D+00
   yy         0.745009D+02      0.110399D+02      0.122835D+02
   zx        -0.161447D+01     -0.239239D+00     -0.266190D+00
   zy        -0.157668D+01     -0.233640D+00     -0.259959D+00
   zz         0.658578D+02      0.975912D+01      0.108585D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.739857D+02      0.109635D+02      0.121986D+02
   aniso      0.143117D+02      0.212078D+01      0.235969D+01
   xx         0.661652D+02      0.980467D+01      0.109092D+02
   yx         0.116470D+01      0.172591D+00      0.192033D+00
   yy         0.747427D+02      0.110757D+02      0.123234D+02
   zx        -0.324197D+01     -0.480410D+00     -0.534528D+00
   zy        -0.771864D+00     -0.114378D+00     -0.127263D+00
   zz         0.810492D+02      0.120102D+02      0.133632D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K11-34-01\Freq\RLC-PBEPBE\Gen\C6H10O1\PIERPA\16-Jul-2021\
 0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,T
 ight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033
 5000000,3/108=0335000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/
 131=-1)\\ROA calculations.\\0,1\C,0.633721,1.221277,-0.338752\C,1.2023
 23,-0.162379,-0.03348\C,0.137211,-0.968205,0.702463\C,-1.17404,-0.1988
 17,0.488459\C,-0.703929,1.273985,0.406927\O,2.304239,-0.549644,-0.3253
 14\H,0.503664,1.289578,-1.422345\H,1.346883,1.995992,-0.058182\H,0.420
 796,-0.975077,1.760549\H,0.126808,-2.003965,0.363566\H,-1.851041,-0.33
 3959,1.333578\C,-1.889774,-0.644315,-0.786475\H,-0.549986,1.66403,1.41
 5809\H,-1.441119,1.913307,-0.079228\H,-1.248924,-0.537622,-1.665524\H,
 -2.789893,-0.050884,-0.957715\H,-2.184175,-1.69352,-0.722841\\Version=
 ES64L-G16RevA.03\State=1-A\HF=-310.0341284\RMSD=7.102e-09\RMSF=1.022e-
 05\ZeroPoint=0.1490467\Thermal=0.1559487\Dipole=-1.1602399,0.3836382,0
 .3116017\DipoleDeriv=-0.0023389,0.0813391,0.0278676,0.1879317,-0.32673
 4,0.121261,-0.0400744,0.1668149,0.0639734,1.2286766,-0.2108783,-0.3071
 958,-0.212944,0.8664031,-0.1988789,-0.3479288,-0.196836,0.3246232,-0.1
 607565,-0.0834607,0.1318103,-0.1752744,-0.0937455,0.166945,0.2016756,0
 .1369327,-0.0432912,0.166906,0.0329153,-0.0141818,-0.0018448,0.0744707
 ,0.0170334,0.0271573,0.0162805,0.1569729,0.0941287,-0.0408211,0.028882
 2,-0.0373659,0.0396957,-0.0002335,-0.0160606,0.0122669,0.117559,-1.162
 9539,0.2330766,0.186325,0.246744,-0.5683766,-0.0072409,0.2289942,-0.01
 25786,-0.4050926,0.0381038,0.0373583,-0.0186325,0.025648,0.0586699,-0.
 0299818,0.0156666,-0.0024527,-0.0797279,-0.0481241,-0.0712998,-0.00156
 51,-0.0592407,-0.0100337,-0.0072265,-0.0129676,-0.0541308,0.0670733,-0
 .0106937,-0.0054609,-0.0445318,-0.0115813,0.075849,-0.0265925,-0.06306
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 LET US PLACE AT THE END OF EVERY CHAPTER.....THE
 TWO LETTERS USED BY THE ROMAN JUDGES WHEN THEY DID
 NOT UNDERSTAND A PLEADING.
 N. L. -NON LIQUET- IT IS NOT CLEAR.
                                              -- VOLTAIRE
 Job cpu time:       0 days  3 hours 50 minutes 34.4 seconds.
 Elapsed time:       0 days  0 hours 29 minutes  0.8 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 19:43:07 2021.
